N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C23H27FN2O3S MolecularWeight: 430.535483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O3S/c1-23(2,3)15-7-10-19(29-4)17(12-15)25-21(27)18-13-30-20(22(28)26-18)11-14-5-8-16(24)9-6-14/h5-10,12,18,20H,11,13H2,1-4H3,(H,25,27)(H,26,28)