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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(3,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)OC

InChI

InChI=1S/C22H25N3O5S/c1-27-16-11-15(12-17(13-16)28-2)23-22(31)25-9-7-24(8-10-25)21(26)20-14-29-18-5-3-4-6-19(18)30-20/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,31)