ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-2-29-22(28)16-6-5-7-17(14-16)24-23(32)26-12-10-25(11-13-26)21(27)20-15-30-18-8-3-4-9-19(18)31-20/h3-9,14,20H,2,10-13,15H2,1H3,(H,24,32)