3-phenylpropyl 5-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-oxo-pentanoate CAS Name: 5-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-oxopentanoate Traditional Name: 5-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C32H37N3O3S MolecularWeight: 543.71948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H37N3O3S/c36-29(19-10-20-30(37)38-25-11-14-26-12-4-1-5-13-26)33-32(39)35-23-21-34(22-24-35)31(27-15-6-2-7-16-27)28-17-8-3-9-18-28/h1-9,12-13,15-18,31H,10-11,14,19-25H2,(H,33,36,39)