4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-[4-[(1S)-1-methylpropyl]phenyl]sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C19H31N3O2S3 MolecularWeight: 429.66334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC

InChI

InChI=1S/C19H31N3O2S3/c1-4-16(2)17-6-8-18(9-7-17)27(23,24)22-13-11-21(12-14-22)19(25)20-10-5-15-26-3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,25)/t16-/m0/s1