N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C33H31ClN4O2S MolecularWeight: 583.14284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C33H31ClN4O2S/c1-23-10-8-9-15-27(23)32(40)38-20-18-37(19-21-38)29-17-16-26(22-28(29)34)35-33(41)36-31(39)30(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-17,22,30H,18-21H2,1H3,(H2,35,36,39,41)