5-(azepan-1-ylcarbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-isobutyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-isobutyl-4-keto-nicotinamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N4O3S/c1-17(2)14-28-15-18(23(30)19(16-28)25(32)29-11-7-3-4-8-12-29)24(31)26-13-22-27-20-9-5-6-10-21(20)33-22/h5-6,9-10,15-17H,3-4,7-8,11-14H2,1-2H3,(H,26,31)