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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H13BrN2O4S MolecularWeight: 409.25442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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