4-(2-chlorophenyl)carbonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-chlorophenyl)carbonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2-chlorobenzoyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)-oxomethyl]-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-chlorobenzoyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chlorobenzoyl)-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C16H22ClN3OS2 MolecularWeight: 371.94838

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H22ClN3OS2/c1-23-12-4-7-18-16(22)20-10-8-19(9-11-20)15(21)13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3,(H,18,22)