4-(2,3-dimethylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C17H27N3S2 MolecularWeight: 337.54638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCCCSC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCCCSC)C

InChI

InChI=1S/C17H27N3S2/c1-14-6-4-7-16(15(14)2)19-9-11-20(12-10-19)17(21)18-8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21)