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

Systemtic Name: methyl 4-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H15BrN2O4S/c1-23-14-8-5-11(18)9-13(14)15(21)20-17(25)19-12-6-3-10(4-7-12)16(22)24-2/h3-9H,1-2H3,(H2,19,20,21,25)