5-(phenylcarbonylcarbamothioylamino)pyridine-3-carboxylic acid

Systemtic Name: 5-(phenylcarbonylcarbamothioylamino)pyridine-3-carboxylic acid Openeye Name: 5-(benzoylcarbamothioylamino)pyridine-3-carboxylic acid CAS Name: 5-[[benzamido(sulfanylidene)methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 5-(benzoylcarbamothioylamino)pyridine-3-carboxylic acid Traditional Name: 5-(benzoylthiocarbamoylamino)nicotinic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CN=CC(=C2)C(=O)O

InChI

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