N-(2,3-dimethylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2S2/c1-15-7-6-10-18(16(15)2)20-19(25)21-11-13-22(14-12-21)26(23,24)17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3,(H,20,25)