N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-(4-benzhydrylpiperazino)sulfonylphenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C31H36N4O3S2 MolecularWeight: 576.77254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H36N4O3S2/c36-30(26-14-8-3-9-15-26)33-31(39)32-27-16-18-28(19-17-27)40(37,38)35-22-20-34(21-23-35)29(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,26,29H,3,8-9,14-15,20-23H2,(H2,32,33,36,39)