4-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(propylcarbamoylamino)ethyl]thio]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-2-7-14-13(19)15-11(16)8-20-10-5-3-9(4-6-10)12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)(H2,14,15,16,19)