5-bromanyl-2-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3-methoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-(m-anisoylthiocarbamoylamino)benzoic acid Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H13BrN2O4S/c1-23-11-4-2-3-9(7-11)14(20)19-16(24)18-13-6-5-10(17)8-12(13)15(21)22/h2-8H,1H3,(H,21,22)(H2,18,19,20,24)