5-bromanyl-2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(3,4-dimethylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3S/c1-9-3-4-11(7-10(9)2)15(21)20-17(24)19-14-6-5-12(18)8-13(14)16(22)23/h3-8H,1-2H3,(H,22,23)(H2,19,20,21,24)