N-(1-adamantyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-(1-adamantyl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-(1-adamantyl)-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-(1-adamantyl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-(1-adamantyl)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C22H27FN2O2S MolecularWeight: 402.525383

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4CSC(C(=O)N4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4CSC(C(=O)N4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C22H27FN2O2S/c23-17-3-1-13(2-4-17)8-19-21(27)24-18(12-28-19)20(26)25-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,14-16,18-19H,5-12H2,(H,24,27)(H,25,26)