3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzoic acid CAS Name: 3-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)benzoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)benzoic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14N2O5S/c20-15(10-4-5-13-14(9-10)24-7-6-23-13)19-17(25)18-12-3-1-2-11(8-12)16(21)22/h1-5,8-9H,6-7H2,(H,21,22)(H2,18,19,20,25)