N-(3,5-dimethoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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