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

Systemtic Name: ethyl 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c1-4-26-18(24)12-5-7-14(8-6-12)21-19(27)22-17(23)15-10-13(20)9-11(2)16(15)25-3/h5-10H,4H2,1-3H3,(H2,21,22,23,27)