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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-nonyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-1-nonyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-hydroxy-1-nonyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-hydroxy-1-nonyl-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-2-hydroxy-4-keto-1-nonyl-quinoline-3-carboxamide Formula: C32H41N3O3S MolecularWeight: 547.75124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H41N3O3S/c1-2-3-4-5-6-7-10-13-35-25-12-9-8-11-24(25)28(36)27(30(35)38)29(37)34-31-33-26(20-39-31)32-17-21-14-22(18-32)16-23(15-21)19-32/h8-9,11-12,20-23,38H,2-7,10,13-19H2,1H3,(H,33,34,37)