2-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 2-[[[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 2-[[5-(4-chlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H13ClN2O4S MolecularWeight: 400.83552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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