N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-1-isobutyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-hydroxy-1-(2-methylpropyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-hydroxy-1-(2-methylpropyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-1-isobutyl-4-keto-quinoline-3-carboxamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N3O3S/c1-15(2)13-30-20-6-4-3-5-19(20)23(31)22(25(30)33)24(32)29-26-28-21(14-34-26)27-10-16-7-17(11-27)9-18(8-16)12-27/h3-6,14-18,33H,7-13H2,1-2H3,(H,28,29,32)