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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N3O3S/c1-2-3-8-30-20-7-5-4-6-19(20)23(31)22(25(30)33)24(32)29-26-28-21(15-34-26)27-12-16-9-17(13-27)11-18(10-16)14-27/h4-7,15-18,33H,2-3,8-14H2,1H3,(H,28,29,32)