methyl 4-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromo-2-ethoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-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)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4S/c1-3-25-15-9-6-12(19)10-14(15)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)