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

Systemtic Name: methyl 4-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromo-2-isopropoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H19BrN2O4S/c1-11(2)26-16-9-6-13(20)10-15(16)17(23)22-19(27)21-14-7-4-12(5-8-14)18(24)25-3/h4-11H,1-3H3,(H2,21,22,23,27)