N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]hexanamide Formula: C31H36N4O2S MolecularWeight: 528.70814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4O2S/c1-2-3-6-19-28(36)33-31(38)32-27-18-12-11-17-26(27)30(37)35-22-20-34(21-23-35)29(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h4-5,7-18,29H,2-3,6,19-23H2,1H3,(H2,32,33,36,38)