4,5,6-trimethyl-2-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 2-[2-[benzyl(phenethyl)amino]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 2-[2-[benzyl(phenethyl)amino]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[benzyl(phenethyl)amino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H29N3O2S/c1-18-19(2)24(25(27)31)26(28-20(18)3)32-17-23(30)29(16-22-12-8-5-9-13-22)15-14-21-10-6-4-7-11-21/h4-13H,14-17H2,1-3H3,(H2,27,31)