methyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(3-bromo-4-isobutoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 2-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC)Br

InChI

InChI=1S/C20H21BrN2O4S/c1-12(2)11-27-17-9-8-13(10-15(17)21)18(24)23-20(28)22-16-7-5-4-6-14(16)19(25)26-3/h4-10,12H,11H2,1-3H3,(H2,22,23,24,28)