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

Systemtic Name: 4-(4-ethanoylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C17H25N3O3S3 MolecularWeight: 415.5937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S3/c1-14(21)15-4-6-16(7-5-15)26(22,23)20-11-9-19(10-12-20)17(24)18-8-3-13-25-2/h4-7H,3,8-13H2,1-2H3,(H,18,24)