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

Systemtic Name: ethyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O4S/c1-2-39-28(37)18-17-27(36)33-31(40)32-26-16-10-9-15-25(26)30(38)35-21-19-34(20-22-35)29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,29H,2,17-22H2,1H3,(H2,32,33,36,40)