AC1LZY0G structure

AC1LZY0G

(E)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide

Also Known As: BAS 00331776|N-(5-Methyl-isoxazol-3-yl)-4-[3-(3-p-tolyl-acryloyl)-thioureido]-benzenesulfonamide|(E)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide|(E)-N-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)carbamothioyl)-3-(p-tolyl)acrylamide|(E)-N-[[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-(p-tolyl)acrylamide|(2E)-N-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}carbamothioyl)-3-(4-methylphenyl)prop-2-enamide|(2E)-N-{[(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)amino]thioxomethyl} -3-(4-methylphenyl)prop-2-enamide|(E)-N-[[4-[(5-methyl-3-isoxazolyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide

CAS: 331004-72-9
Molecular Formula C21H20N4O4S2
Molecular Weight 456.0926 g/mol
LogP 3.61864
Topological Polar Surface Area 113.33 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 456.0926
Monoisotopic Mass 456.0926
Heavy Atoms 31
Complexity 1215.0255

Chemical Identifiers

CAS Number 331004-72-9
SMILES CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NOC(=C3)C

Product Overview

AC1LZY0G (CAS 331004-72-9), with molecular formula C21H20N4O4S2 and molecular weight 456.0926 g/mol. IUPAC: (E)-N-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]carbamothioyl]-3-(4-methylphenyl)prop-2-enamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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