4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide

Systemtic Name: 4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-[4-[(1R)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[(2R)-butan-2-yl]phenyl]sulfonyl-N-butylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-[4-[(1R)-1-methylpropyl]phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(C)CC

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[C@H](C)CC

InChI

InChI=1S/C19H31N3O2S2/c1-4-6-11-20-19(25)21-12-14-22(15-13-21)26(23,24)18-9-7-17(8-10-18)16(3)5-2/h7-10,16H,4-6,11-15H2,1-3H3,(H,20,25)/t16-/m1/s1