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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C17H15BrN2O5S MolecularWeight: 439.2804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O5S/c1-24-13-5-3-9(7-11(13)18)15(21)20-17(26)19-12-8-10(16(22)23)4-6-14(12)25-2/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,26)