3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoic acid Openeye Name: 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoic acid CAS Name: 3-[[(1,2-benzoxazol-3-ylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoic acid Traditional Name: 3-(indoxazen-3-ylthiocarbamoylamino)benzoic acid Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H11N3O3S/c19-14(20)9-4-3-5-10(8-9)16-15(22)17-13-11-6-1-2-7-12(11)21-18-13/h1-8H,(H,19,20)(H2,16,17,18,22)