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

Systemtic Name: N-[[2-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[[2-[4-(4-chlorobenzoyl)piperazino]phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C27H27ClN4O2S MolecularWeight: 507.04688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H27ClN4O2S/c1-18-7-12-22(19(2)17-18)25(33)30-27(35)29-23-5-3-4-6-24(23)31-13-15-32(16-14-31)26(34)20-8-10-21(28)11-9-20/h3-12,17H,13-16H2,1-2H3,(H2,29,30,33,35)