2-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-keto-2-(propylcarbamoylamino)ethyl]thio]nicotinic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=C(C=CC=N1)C(=O)O

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=C(C=CC=N1)C(=O)O

InChI

InChI=1S/C12H15N3O4S/c1-2-5-14-12(19)15-9(16)7-20-10-8(11(17)18)4-3-6-13-10/h3-4,6H,2,5,7H2,1H3,(H,17,18)(H2,14,15,16,19)