4-(2-methylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-methylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(2-methylphenyl)-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-methylphenyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-(o-tolyl)piperazine-1-carbothioamide Formula: C16H25N3S2 MolecularWeight: 323.5198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCSC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCSC

InChI

InChI=1S/C16H25N3S2/c1-14-6-3-4-7-15(14)18-9-11-19(12-10-18)16(20)17-8-5-13-21-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,17,20)