3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoic acid CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoic acid Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzoic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H12N2O4S/c18-14(19)9-2-1-3-10(6-9)16-15(22)17-11-4-5-12-13(7-11)21-8-20-12/h1-7H,8H2,(H,18,19)(H2,16,17,22)