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

Systemtic Name: methyl 2-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C19H19BrN2O5S/c1-25-9-10-27-16-8-7-12(11-14(16)20)17(23)22-19(28)21-15-6-4-3-5-13(15)18(24)26-2/h3-8,11H,9-10H2,1-2H3,(H2,21,22,23,28)