5-bromanyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 5-bromanyl-2-[(2-methylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 5-bromo-2-[(2-methylbenzoyl)carbamothioylamino]benzoate CAS Name: 5-bromo-2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 5-bromo-2-[(2-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 5-bromo-2-(o-toluoylthiocarbamoylamino)benzoate Formula: C16H12BrN2O3S- MolecularWeight: 392.24708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C16H13BrN2O3S/c1-9-4-2-3-5-11(9)14(20)19-16(23)18-13-7-6-10(17)8-12(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)/p-1