2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4,6-dimethyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4,6-dimethyl-N-phenyl-nicotinamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)NC3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)NC2=CC=CC=C2)SCC(=O)NC3CCCCC3)C

InChI

InChI=1S/C22H27N3O2S/c1-15-13-16(2)23-22(20(15)21(27)25-18-11-7-4-8-12-18)28-14-19(26)24-17-9-5-3-6-10-17/h4,7-8,11-13,17H,3,5-6,9-10,14H2,1-2H3,(H,24,26)(H,25,27)