AC1MW5KH structure

AC1MW5KH

ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Also Known As: ethyl 1-(3-benzoylthioureido)-5-isopropyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate|ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate|ethyl 1-{[(phenylcarbonyl)carbamothioyl]amino}-5-(propan-2-yl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

CAS: 836633-80-8
Molecular Formula C25H27N3O3S2
Molecular Weight 481.14938 g/mol
LogP 5.602
Topological Polar Surface Area 80.32 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 481.14938
Monoisotopic Mass 481.14938
Heavy Atoms 33
Complexity 1218.8553

Chemical Identifiers

CAS Number 836633-80-8
SMILES CCOC(=O)C1=C(C2=C(S1)N=C(C3=C2CCCC3)C(C)C)NC(=S)NC(=O)C4=CC=CC=C4

Product Overview

AC1MW5KH (CAS 836633-80-8), with molecular formula C25H27N3O3S2 and molecular weight 481.14938 g/mol. IUPAC: ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.

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