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

Systemtic Name: ethyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxo-butanoate CAS Name: 4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxobutanoate Traditional Name: 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-keto-butyric acid ethyl ester Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-2-30-22(29)14-13-21(28)25-24(31)27-17-15-26(16-18-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,23H,2,13-18H2,1H3,(H,25,28,31)