N-butyl-4-(phenylsulfonyl)piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S2/c1-2-3-9-16-15(21)17-10-12-18(13-11-17)22(19,20)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,16,21)