2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H29N3O2S/c1-11-12(2)18(19(22)26)20(23-13(11)3)27-10-17(25)24-21-7-14-4-15(8-21)6-16(5-14)9-21/h14-16H,4-10H2,1-3H3,(H2,22,26)(H,24,25)