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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-isobutyl-N-methyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)-1-isobutyl-4-keto-N-methyl-nicotinamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2)C(=O)N4CCCCCC4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N(C)CC2=NC3=CC=CC=C3S2)C(=O)N4CCCCCC4

InChI

InChI=1S/C26H32N4O3S/c1-18(2)14-29-15-19(24(31)20(16-29)26(33)30-12-8-4-5-9-13-30)25(32)28(3)17-23-27-21-10-6-7-11-22(21)34-23/h6-7,10-11,15-16,18H,4-5,8-9,12-14,17H2,1-3H3