3-phenylpropyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C38H40N4O4S MolecularWeight: 648.8136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)CCC(=O)OCCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)CCC(=O)OCCCC5=CC=CC=C5

InChI

InChI=1S/C38H40N4O4S/c43-34(22-23-35(44)46-28-12-15-29-13-4-1-5-14-29)40-38(47)39-33-21-11-10-20-32(33)37(45)42-26-24-41(25-27-42)36(30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-11,13-14,16-21,36H,12,15,22-28H2,(H2,39,40,43,47)