5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-N-[(5-chloranylthiophen-2-yl)methyl]-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-N-[(5-chloranylthiophen-2-yl)methyl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[(5-chloro-2-thienyl)methyl]-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-[(2S)-butan-2-yl]-N-[(5-chloro-2-thiophenyl)methyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-[(2S)-butan-2-yl]-N-[(5-chlorothiophen-2-yl)methyl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-[(5-chloro-2-thienyl)methyl]-4-keto-1-[(1S)-1-methylpropyl]nicotinamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=C(S3)Cl

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=C(S3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-3-15(2)26-13-17(21(28)24-12-16-8-9-19(23)30-16)20(27)18(14-26)22(29)25-10-6-4-5-7-11-25/h8-9,13-15H,3-7,10-12H2,1-2H3,(H,24,28)/t15-/m0/s1