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

Systemtic Name: 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-2-chloro-benzoic acid CAS Name: 4-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid IUPAC Name: 4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-2-chlorobenzoic acid Traditional Name: 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-2-chloro-benzoic acid Formula: C17H14BrClN2O4S MolecularWeight: 457.72606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrClN2O4S/c1-8-5-9(18)6-12(14(8)25-2)15(22)21-17(26)20-10-3-4-11(16(23)24)13(19)7-10/h3-7H,1-2H3,(H,23,24)(H2,20,21,22,26)