N-butyl-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(4-isobutylphenyl)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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S2/c1-4-5-10-20-19(25)21-11-13-22(14-12-21)26(23,24)18-8-6-17(7-9-18)15-16(2)3/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,25)