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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H25N3O3S/c1-15-6-5-7-17(16(15)2)23-22(29)25-12-10-24(11-13-25)21(26)20-14-27-18-8-3-4-9-19(18)28-20/h3-9,20H,10-14H2,1-2H3,(H,23,29)