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

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O4S/c1-23-13-7-4-10(8-12(13)17)14(20)19-16(24)18-11-5-2-9(3-6-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)