N-(3-chlorophenyl)-4,6-dimethyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4,6-dimethyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-N-(3-chlorophenyl)-4,6-dimethyl-pyridine-3-carboxamide CAS Name: N-(3-chlorophenyl)-4,6-dimethyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-(3-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-N-(3-chlorophenyl)-4,6-dimethyl-nicotinamide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC(=CC=C2)Cl)SCC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC(=CC=C2)Cl)SCC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H22ClN3O2S/c1-15-11-16(2)26-23(21(15)22(29)27-19-10-6-9-18(24)12-19)30-14-20(28)25-13-17-7-4-3-5-8-17/h3-12H,13-14H2,1-2H3,(H,25,28)(H,27,29)