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

Systemtic Name: methyl 3-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-ethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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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)OC)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-3-30-17-6-4-5-15(13-17)20(26)24-22(31)23-18-14-16(21(27)28-2)7-8-19(18)25-9-11-29-12-10-25/h4-8,13-14H,3,9-12H2,1-2H3,(H2,23,24,26,31)