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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-tosyl-piperazine-1-carbothioamide Formula: C16H25N3O2S3 MolecularWeight: 387.5836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S3/c1-14-4-6-15(7-5-14)24(20,21)19-11-9-18(10-12-19)16(22)17-8-3-13-23-2/h4-7H,3,8-13H2,1-2H3,(H,17,22)