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

Systemtic Name: 3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]-4-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=C(C=CC(=C3)C(=O)O)Cl)Br

Isomeric SMILES

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

InChI

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