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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-N-methyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(benzothiophen-2-ylmethyl)-N-methyl-4-oxo-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-N-methyl-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1-benzothiophen-2-ylmethyl)-1-butan-2-yl-N-methyl-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(benzothiophen-2-ylmethyl)-4-keto-N-methyl-1-sec-butyl-nicotinamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N(C)CC2=CC3=CC=CC=C3S2)C(=O)N4CCCCCC4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N(C)CC2=CC3=CC=CC=C3S2)C(=O)N4CCCCCC4

InChI

InChI=1S/C27H33N3O3S/c1-4-19(2)30-17-22(25(31)23(18-30)27(33)29-13-9-5-6-10-14-29)26(32)28(3)16-21-15-20-11-7-8-12-24(20)34-21/h7-8,11-12,15,17-19H,4-6,9-10,13-14,16H2,1-3H3