2-(3,4-diethoxyphenyl)carbonyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide

Systemtic Name: 2-(3,4-diethoxyphenyl)carbonyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide Openeye Name: 2-(3,4-diethoxybenzoyl)-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]benzamide CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]-N-[[3-(4-morpholinyl)-3-thiolanyl]methyl]benzamide IUPAC Name: 2-(3,4-diethoxybenzoyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide Traditional Name: 2-(3,4-diethoxybenzoyl)-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]benzamide Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3(CCSC3)N4CCOCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3(CCSC3)N4CCOCC4)OCC

InChI

InChI=1S/C27H34N2O5S/c1-3-33-23-10-9-20(17-24(23)34-4-2)25(30)21-7-5-6-8-22(21)26(31)28-18-27(11-16-35-19-27)29-12-14-32-15-13-29/h5-10,17H,3-4,11-16,18-19H2,1-2H3,(H,28,31)