N-(2-methylpropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methylpropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-isobutyl-piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2-methylpropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-methylpropyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-isobutyl-piperazine-1-carbothioamide Formula: C15H23N3O2S2 MolecularWeight: 341.49202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S2/c1-13(2)12-16-15(21)17-8-10-18(11-9-17)22(19,20)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,16,21)