N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C31H33ClN4O2S MolecularWeight: 561.13732

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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)C4(CCCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H33ClN4O2S/c1-22-9-5-6-12-25(22)28(37)36-19-17-35(18-20-36)27-14-13-24(21-26(27)32)33-30(39)34-29(38)31(15-7-8-16-31)23-10-3-2-4-11-23/h2-6,9-14,21H,7-8,15-20H2,1H3,(H2,33,34,38,39)