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

Systemtic Name: 2-methoxyethyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxo-butanoate CAS Name: 4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxobutanoate Traditional Name: 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-31-18-19-32-23(30)13-12-22(29)26-25(33)28-16-14-27(15-17-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,24H,12-19H2,1H3,(H,26,29,33)