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

Systemtic Name: 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C17H15BrN2O4S/c1-9-6-11(18)8-13(14(9)24-2)15(21)20-17(25)19-12-5-3-4-10(7-12)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,25)