N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethyl-benzamide

Systemtic Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[4-[4-(2-chlorobenzyl)piperazino]phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C27H29ClN4OS MolecularWeight: 493.06336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C27H29ClN4OS/c1-19-7-12-24(20(2)17-19)26(33)30-27(34)29-22-8-10-23(11-9-22)32-15-13-31(14-16-32)18-21-5-3-4-6-25(21)28/h3-12,17H,13-16,18H2,1-2H3,(H2,29,30,33,34)