methyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxo-butanoate CAS Name: 4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxobutanoate Traditional Name: 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-keto-butyric acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-29-21(28)13-12-20(27)24-23(30)26-16-14-25(15-17-26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,22H,12-17H2,1H3,(H,24,27,30)