N-(3-methylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(m-tolyl)piperazine-1-carbothioamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S2/c1-15-6-5-7-16(14-15)19-18(24)20-10-12-21(13-11-20)25(22,23)17-8-3-2-4-9-17/h2-9,14H,10-13H2,1H3,(H,19,24)