ethyl 3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-3-30-18-7-5-6-16(14-18)21(27)25-23(32)24-19-15-17(22(28)31-4-2)8-9-20(19)26-10-12-29-13-11-26/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,24,25,27,32)