4-(2-cyanophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C16H22N4O2S3 MolecularWeight: 398.56648

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H22N4O2S3/c1-24-12-4-7-18-16(23)19-8-10-20(11-9-19)25(21,22)15-6-3-2-5-14(15)13-17/h2-3,5-6H,4,7-12H2,1H3,(H,18,23)