3-(pyridin-4-ylcarbonylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(pyridin-4-ylcarbonylcarbamothioylamino)benzoic acid Openeye Name: 3-(pyridine-4-carbonylcarbamothioylamino)benzoic acid CAS Name: 3-[[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(pyridine-4-carbonylcarbamothioylamino)benzoic acid Traditional Name: 3-(isonicotinoylthiocarbamoylamino)benzoic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C14H11N3O3S/c18-12(9-4-6-15-7-5-9)17-14(21)16-11-3-1-2-10(8-11)13(19)20/h1-8H,(H,19,20)(H2,16,17,18,21)