N-(4,5-dimethoxy-2-methyl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C21H23FN2O4S/c1-12-8-17(27-2)18(28-3)10-15(12)23-20(25)16-11-29-19(21(26)24-16)9-13-4-6-14(22)7-5-13/h4-8,10,16,19H,9,11H2,1-3H3,(H,23,25)(H,24,26)