4-(4-tert-butylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C19H31N3O2S3 MolecularWeight: 429.66334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S3/c1-19(2,3)16-6-8-17(9-7-16)27(23,24)22-13-11-21(12-14-22)18(25)20-10-5-15-26-4/h6-9H,5,10-15H2,1-4H3,(H,20,25)