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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)F

InChI

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