5-(azepan-1-ylcarbonyl)-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(benzothiophen-2-ylmethyl)-4-oxo-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(benzothiophen-2-ylmethyl)-4-keto-1-sec-butyl-nicotinamide Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C26H31N3O3S/c1-3-18(2)29-16-21(24(30)22(17-29)26(32)28-12-8-4-5-9-13-28)25(31)27-15-20-14-19-10-6-7-11-23(19)33-20/h6-7,10-11,14,16-18H,3-5,8-9,12-13,15H2,1-2H3,(H,27,31)