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

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C17H27N3O2S3 MolecularWeight: 401.61018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S3/c1-14-5-6-16(13-15(14)2)25(21,22)20-10-8-19(9-11-20)17(23)18-7-4-12-24-3/h5-6,13H,4,7-12H2,1-3H3,(H,18,23)