3-[[5-(3-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[[5-(3-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[5-(3-chlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H13ClN2O4S MolecularWeight: 400.83552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H13ClN2O4S/c20-13-5-1-3-11(9-13)15-7-8-16(26-15)17(23)22-19(27)21-14-6-2-4-12(10-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)