methyl 5-[[4-[4-(carbamothioylamino)phenyl]carbonylmorpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-[4-(carbamothioylamino)phenyl]carbonylmorpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-[4-(carbamothioylamino)benzoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[[4-(carbamothioylamino)phenyl]-oxomethyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[4-(carbamothioylamino)benzoyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-(4-thioureidobenzoyl)morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=O)C3=CC=C(C=C3)NC(=S)N

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=O)C3=CC=C(C=C3)NC(=S)N

InChI

InChI=1S/C20H22N4O5S/c1-27-19(26)14-8-16(10-22-9-14)29-12-17-11-24(6-7-28-17)18(25)13-2-4-15(5-3-13)23-20(21)30/h2-5,8-10,17H,6-7,11-12H2,1H3,(H3,21,23,30)