methyl 3-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(2,6-dimethoxybenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2,6-dimethoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(2,6-dimethoxybenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3

InChI

InChI=1S/C22H25N3O6S/c1-28-17-5-4-6-18(29-2)19(17)20(26)24-22(32)23-15-13-14(21(27)30-3)7-8-16(15)25-9-11-31-12-10-25/h4-8,13H,9-12H2,1-3H3,(H2,23,24,26,32)