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

Systemtic Name: 3-phenylpropyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxo-butanoate CAS Name: 4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-oxobutanoate Traditional Name: 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C31H35N3O3S/c35-28(18-19-29(36)37-24-10-13-25-11-4-1-5-12-25)32-31(38)34-22-20-33(21-23-34)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,30H,10,13,18-24H2,(H,32,35,38)