5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-N-[(4-phenylthiazol-2-yl)methyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-N-[(4-phenyl-2-thiazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-[(4-phenylthiazol-2-yl)methyl]nicotinamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-19(2)15-30-16-21(25(32)22(17-30)27(34)31-12-8-3-4-9-13-31)26(33)28-14-24-29-23(18-35-24)20-10-6-5-7-11-20/h5-7,10-11,16-19H,3-4,8-9,12-15H2,1-2H3,(H,28,33)