3-(2-chlorophenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]propionamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C20H22ClN3O2S/c1-3-18(25)23-17-12-15(10-8-13(17)2)22-20(27)24-19(26)11-9-14-6-4-5-7-16(14)21/h4-8,10,12H,3,9,11H2,1-2H3,(H,23,25)(H2,22,24,26,27)