N-(2,5-dimethylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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