2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(3-bromo-4-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)C(=O)NC(=S)NC2=CC=CC=C2C(=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)[O-])Br

InChI

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