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

Systemtic Name: 3-(2-chlorophenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[(2-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)22-16-9-6-10-17(13(16)2)23-20(27)24-19(26)12-11-14-7-4-5-8-15(14)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H2,23,24,26,27)