methyl 5-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid methyl ester Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC)Br

InChI

InChI=1S/C22H24BrN3O5S/c1-3-31-19-7-4-14(12-17(19)23)20(27)25-22(32)24-15-5-6-18(16(13-15)21(28)29-2)26-8-10-30-11-9-26/h4-7,12-13H,3,8-11H2,1-2H3,(H2,24,25,27,32)