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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(4-dimethylaminophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(4-dimethylaminophenyl)piperazine-1-carbothioamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-24(2)17-9-7-16(8-10-17)23-22(30)26-13-11-25(12-14-26)21(27)20-15-28-18-5-3-4-6-19(18)29-20/h3-10,20H,11-15H2,1-2H3,(H,23,30)