AC1NUIUV structure

AC1NUIUV

2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide

Also Known As: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide|(2E)-N-({4-[(2-methylpropanoyl)amino]phenyl}carbamothioyl)-3-(3-nitrophenyl)prop-2-enamide

CAS: 640757-72-8
Molecular Formula C20H20N4O4S
Molecular Weight 412.1205 g/mol
LogP 3.7157
Topological Polar Surface Area 113.37 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 412.1205
Monoisotopic Mass 412.1205
Heavy Atoms 29
Complexity 955.2085

Chemical Identifiers

CAS Number 640757-72-8
SMILES CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

Product Overview

AC1NUIUV (CAS 640757-72-8), with molecular formula C20H20N4O4S and molecular weight 412.1205 g/mol. IUPAC: 2-methyl-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide.

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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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