4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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