butyl 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

InChI

InChI=1S/C21H23BrN2O4S/c1-4-5-10-28-20(26)14-6-8-16(9-7-14)23-21(29)24-19(25)17-12-15(22)11-13(2)18(17)27-3/h6-9,11-12H,4-5,10H2,1-3H3,(H2,23,24,25,29)