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

Systemtic Name: 5-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-2-chloro-benzoic acid CAS Name: 5-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 5-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]-2-chloro-benzoic acid Formula: C19H12BrClN2O4S MolecularWeight: 479.73158

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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)Cl)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrClN2O4S/c20-11-3-1-10(2-4-11)15-7-8-16(27-15)17(24)23-19(28)22-12-5-6-14(21)13(9-12)18(25)26/h1-9H,(H,25,26)(H2,22,23,24,28)