6-[(2-fluorophenyl)methyl]-5-oxidanylidene-N-(3-phenylsulfanylpropyl)thiomorpholine-3-carboxamide

Systemtic Name: 6-[(2-fluorophenyl)methyl]-5-oxidanylidene-N-(3-phenylsulfanylpropyl)thiomorpholine-3-carboxamide Openeye Name: 6-[(2-fluorophenyl)methyl]-5-oxo-N-(3-phenylsulfanylpropyl)thiomorpholine-3-carboxamide CAS Name: 6-[(2-fluorophenyl)methyl]-5-oxo-N-[3-(phenylthio)propyl]-3-thiomorpholinecarboxamide IUPAC Name: 6-[(2-fluorophenyl)methyl]-5-oxo-N-(3-phenylsulfanylpropyl)thiomorpholine-3-carboxamide Traditional Name: 6-(2-fluorobenzyl)-5-keto-N-[3-(phenylthio)propyl]thiomorpholine-3-carboxamide Formula: C21H23FN2O2S2 MolecularWeight: 418.547923

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(S1)CC2=CC=CC=C2F)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1C(NC(=O)C(S1)CC2=CC=CC=C2F)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23FN2O2S2/c22-17-10-5-4-7-15(17)13-19-21(26)24-18(14-28-19)20(25)23-11-6-12-27-16-8-2-1-3-9-16/h1-5,7-10,18-19H,6,11-14H2,(H,23,25)(H,24,26)