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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O4S2/c1-25-15-8-9-18(26-2)17(14-15)20-19(27)21-10-12-22(13-11-21)28(23,24)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,20,27)