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

Systemtic Name: methyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N4O4S/c1-38-27(36)17-16-26(35)32-30(39)31-25-15-9-8-14-24(25)29(37)34-20-18-33(19-21-34)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,28H,16-21H2,1H3,(H2,31,32,35,39)