methyl 5-[[4-[(diphenylmethyl)carbamothioyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate

Systemtic Name: methyl 5-[[4-[(diphenylmethyl)carbamothioyl]morpholin-2-yl]methoxy]pyridine-3-carboxylate Openeye Name: methyl 5-[[4-(benzhydrylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate CAS Name: 5-[[4-[[(diphenylmethyl)amino]-sulfanylidenemethyl]-2-morpholinyl]methoxy]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(benzhydrylcarbamothioyl)morpholin-2-yl]methoxy]pyridine-3-carboxylate Traditional Name: 5-[[4-(benzhydrylthiocarbamoyl)morpholin-2-yl]methoxy]nicotinic acid methyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CN=C1)OCC2CN(CCO2)C(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-31-25(30)21-14-22(16-27-15-21)33-18-23-17-29(12-13-32-23)26(34)28-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,14-16,23-24H,12-13,17-18H2,1H3,(H,28,34)