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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-oxidanyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-benzyl-2-hydroxy-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-hydroxy-4-oxo-1-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-benzyl-2-hydroxy-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-benzyl-2-hydroxy-4-keto-quinoline-3-carboxamide Formula: C30H29N3O3S MolecularWeight: 511.63456

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(N(C6=CC=CC=C6C5=O)CC7=CC=CC=C7)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(N(C6=CC=CC=C6C5=O)CC7=CC=CC=C7)O

InChI

InChI=1S/C30H29N3O3S/c34-26-22-8-4-5-9-23(22)33(16-18-6-2-1-3-7-18)28(36)25(26)27(35)32-29-31-24(17-37-29)30-13-19-10-20(14-30)12-21(11-19)15-30/h1-9,17,19-21,36H,10-16H2,(H,31,32,35)