ethyl 4-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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