5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-N-[(1S)-1-(2-thienyl)propyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-[(1S)-1-(2-thienyl)propyl]nicotinamide Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CC(C)C

Isomeric SMILES

CC[C@@H](C1=CC=CS1)NC(=O)C2=CN(C=C(C2=O)C(=O)N3CCCCCC3)CC(C)C

InChI

InChI=1S/C24H33N3O3S/c1-4-20(21-10-9-13-31-21)25-23(29)18-15-26(14-17(2)3)16-19(22(18)28)24(30)27-11-7-5-6-8-12-27/h9-10,13,15-17,20H,4-8,11-12,14H2,1-3H3,(H,25,29)/t20-/m0/s1