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

Systemtic Name: N-(4-ethylphenyl)-4,6-dimethyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-N-(4-ethylphenyl)-4,6-dimethyl-pyridine-3-carboxamide CAS Name: N-(4-ethylphenyl)-4,6-dimethyl-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-(4-ethylphenyl)-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-N-(4-ethylphenyl)-4,6-dimethyl-nicotinamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2S/c1-4-19-10-12-21(13-11-19)28-24(30)23-17(2)14-18(3)27-25(23)31-16-22(29)26-15-20-8-6-5-7-9-20/h5-14H,4,15-16H2,1-3H3,(H,26,29)(H,28,30)