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

Systemtic Name: methyl 4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-3-25-15-9-6-12(10-14(15)19)16(22)21-18(26)20-13-7-4-11(5-8-13)17(23)24-2/h4-10H,3H2,1-2H3,(H2,20,21,22,26)