4-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]sulfanylbenzoic acid

Systemtic Name: 4-[3-(methylcarbamoylamino)-3-oxidanylidene-propyl]sulfanylbenzoic acid Openeye Name: 4-[3-(methylcarbamoylamino)-3-oxo-propyl]sulfanylbenzoic acid CAS Name: 4-[[3-(methylcarbamoylamino)-3-oxopropyl]thio]benzoic acid IUPAC Name: 4-[3-(methylcarbamoylamino)-3-oxopropyl]sulfanylbenzoic acid Traditional Name: 4-[[3-keto-3-(methylcarbamoylamino)propyl]thio]benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CNC(=O)NC(=O)CCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-13-12(18)14-10(15)6-7-19-9-4-2-8(3-5-9)11(16)17/h2-5H,6-7H2,1H3,(H,16,17)(H2,13,14,15,18)