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

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NCC(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC[C@@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H25N3O2S/c1-12(16-8-6-5-7-9-16)10-22-17(24)11-26-20-18(19(21)25)14(3)13(2)15(4)23-20/h5-9,12H,10-11H2,1-4H3,(H2,21,25)(H,22,24)/t12-/m1/s1