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

Systemtic Name: methyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]butanoate CAS Name: 4-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]butanoate Traditional Name: 4-[(4-benzhydrylpiperazine-1-carbothioyl)amino]butyric acid methyl ester Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-28-21(27)13-8-14-24-23(29)26-17-15-25(16-18-26)22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,22H,8,13-18H2,1H3,(H,24,29)