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

Systemtic Name: 5-bromanyl-2-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3-chloro-4-methylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H12BrClN2O3S MolecularWeight: 427.70008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN2O3S/c1-8-2-3-9(6-12(8)18)14(21)20-16(24)19-13-5-4-10(17)7-11(13)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)