3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoate Formula: C16H12BrN2O4S- MolecularWeight: 408.24648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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