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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)C(=O)O

InChI

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