3-[2-[cyclohexyl(ethanoyl)amino]ethylsulfanylmethyl]-N,N-diethyl-4-oxidanylidene-4-pyridin-3-yl-butanamide

Systemtic Name: 3-[2-[cyclohexyl(ethanoyl)amino]ethylsulfanylmethyl]-N,N-diethyl-4-oxidanylidene-4-pyridin-3-yl-butanamide Openeye Name: 3-[2-[acetyl(cyclohexyl)amino]ethylsulfanylmethyl]-N,N-diethyl-4-oxo-4-(3-pyridyl)butanamide CAS Name: 3-[[2-[acetyl(cyclohexyl)amino]ethylthio]methyl]-N,N-diethyl-4-oxo-4-(3-pyridinyl)butanamide IUPAC Name: 3-[2-[acetyl(cyclohexyl)amino]ethylsulfanylmethyl]-N,N-diethyl-4-oxo-4-pyridin-3-ylbutanamide Traditional Name: 3-[[2-[acetyl(cyclohexyl)amino]ethylthio]methyl]-N,N-diethyl-4-keto-4-(3-pyridyl)butyramide Formula: C24H37N3O3S MolecularWeight: 447.63388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CC(CSCCN(C1CCCCC1)C(=O)C)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCN(CC)C(=O)CC(CSCCN(C1CCCCC1)C(=O)C)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C24H37N3O3S/c1-4-26(5-2)23(29)16-21(24(30)20-10-9-13-25-17-20)18-31-15-14-27(19(3)28)22-11-7-6-8-12-22/h9-10,13,17,21-22H,4-8,11-12,14-16,18H2,1-3H3