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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H27N3O3S/c1-15-12-17(3)18(13-16(15)2)24-23(30)26-10-8-25(9-11-26)22(27)21-14-28-19-6-4-5-7-20(19)29-21/h4-7,12-13,21H,8-11,14H2,1-3H3,(H,24,30)