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

Systemtic Name: propyl 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4S/c1-4-9-27-19(25)13-5-7-15(8-6-13)22-20(28)23-18(24)16-11-14(21)10-12(2)17(16)26-3/h5-8,10-11H,4,9H2,1-3H3,(H2,22,23,24,28)