ethyl 4-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c1-3-27-19(25)13-4-7-15(8-5-13)22-20(29)23-18(24)14-6-9-17(16(21)12-14)28-11-10-26-2/h4-9,12H,3,10-11H2,1-2H3,(H2,22,23,24,29)