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

Systemtic Name: ethyl 4-[(5-bromanyl-2-propan-2-yloxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-isopropoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-isopropoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21BrN2O4S MolecularWeight: 465.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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