3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-chloro-benzoic acid Formula: C16H12BrClN2O4S MolecularWeight: 443.69948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Br

InChI

InChI=1S/C16H12BrClN2O4S/c1-24-13-5-3-8(6-10(13)17)14(21)20-16(25)19-12-7-9(15(22)23)2-4-11(12)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,25)