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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-oxidanyl-4-oxidanylidene-1-propyl-quinoline-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-4-oxo-1-propyl-quinoline-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-hydroxy-4-oxo-1-propyl-3-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-hydroxy-4-oxo-1-propylquinoline-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-4-keto-1-propyl-quinoline-3-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N3O3S/c1-2-7-29-19-6-4-3-5-18(19)22(30)21(24(29)32)23(31)28-25-27-20(14-33-25)26-11-15-8-16(12-26)10-17(9-15)13-26/h3-6,14-17,32H,2,7-13H2,1H3,(H,27,28,31)