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

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[[3-chloro-2-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]carbamothioyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[[3-chloro-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]anilino]-sulfanylidenemethyl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]carbamothioyl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[[3-chloro-2-(4-tosylpiperazino)phenyl]thiocarbamoyl]-1-phenyl-cyclopentanecarboxamide Formula: C30H33ClN4O3S2 MolecularWeight: 597.19102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C4(CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H33ClN4O3S2/c1-22-12-14-24(15-13-22)40(37,38)35-20-18-34(19-21-35)27-25(31)10-7-11-26(27)32-29(39)33-28(36)30(16-5-6-17-30)23-8-3-2-4-9-23/h2-4,7-15H,5-6,16-21H2,1H3,(H2,32,33,36,39)