2-[(4-fluorophenyl)methylsulfanyl]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]nicotinamide Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(N=CC=C2)SCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(N=CC=C2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O2S/c23-18-10-8-17(9-11-18)15-29-22-19(7-4-12-24-22)21(28)26-14-20(27)25-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,25,27)(H,26,28)