methyl 4-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2-methylphenyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(2-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methylphenyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(o-tolyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H25N3O2S/c1-14-6-3-4-7-15(14)19-10-12-20(13-11-19)17(23)18-9-5-8-16(21)22-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,18,23)