N-(3-methylsulfanylpropyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C16H23N3OS2 MolecularWeight: 337.50332

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3OS2/c1-22-13-5-8-17-16(21)19-11-9-18(10-12-19)15(20)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,21)