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

Systemtic Name: 4-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[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=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)O)Br

InChI

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