3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H13BrN2O4S MolecularWeight: 445.28652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrN2O4S/c20-13-6-4-11(5-7-13)15-8-9-16(26-15)17(23)22-19(27)21-14-3-1-2-12(10-14)18(24)25/h1-10H,(H,24,25)(H2,21,22,23,27)