4-[(3-methylfuran-2-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-methylfuran-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-methylfuran-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3-methyl-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-methylfuran-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-methyl-2-furoyl)thiocarbamoylamino]benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(OC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-8-6-7-20-11(8)12(17)16-14(21)15-10-4-2-9(3-5-10)13(18)19/h2-7H,1H3,(H,18,19)(H2,15,16,17,21)