ethyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

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