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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-3-19(2)31-16-21(25(32)22(17-31)27(34)30-13-9-4-5-10-14-30)26(33)28-15-24-29-23(18-35-24)20-11-7-6-8-12-20/h6-8,11-12,16-19H,3-5,9-10,13-15H2,1-2H3,(H,28,33)/t19-/m0/s1