3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[(5-bromo-2-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)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

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

InChI

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