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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-1-octyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-hydroxy-1-octyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-hydroxy-1-octyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-4-keto-1-octyl-quinoline-3-carboxamide Formula: C31H39N3O3S MolecularWeight: 533.72466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H39N3O3S/c1-2-3-4-5-6-9-12-34-24-11-8-7-10-23(24)27(35)26(29(34)37)28(36)33-30-32-25(19-38-30)31-16-20-13-21(17-31)15-22(14-20)18-31/h7-8,10-11,19-22,37H,2-6,9,12-18H2,1H3,(H,32,33,36)