4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O6S/c1-28-18-12-15(13-19(29-2)21(18)30-3)24-23(33)26-10-8-25(9-11-26)22(27)20-14-31-16-6-4-5-7-17(16)32-20/h4-7,12-13,20H,8-11,14H2,1-3H3,(H,24,33)