3-[[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]-oxidanyl-methylidene]-1H-quinoline-2,4-dione

Systemtic Name: 3-[[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]-oxidanyl-methylidene]-1H-quinoline-2,4-dione Openeye Name: 3-[[[4-(2-adamantyl)thiazol-2-yl]amino]-hydroxy-methylene]-1H-quinoline-2,4-dione CAS Name: 3-[[[4-(2-adamantyl)-2-thiazolyl]amino]-hydroxymethylidene]-1H-quinoline-2,4-dione IUPAC Name: 3-[[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]-hydroxymethylidene]-1H-quinoline-2,4-dione Traditional Name: 3-[[[4-(2-adamantyl)thiazol-2-yl]amino]-hydroxy-methylene]-1H-quinoline-2,4-quinone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=CSC(=N4)NC(=C5C(=O)C6=CC=CC=C6NC5=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=CSC(=N4)NC(=C5C(=O)C6=CC=CC=C6NC5=O)O

InChI

InChI=1S/C23H23N3O3S/c27-20-15-3-1-2-4-16(15)24-21(28)19(20)22(29)26-23-25-17(10-30-23)18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,10-14,18,29H,5-9H2,(H,24,28)(H,25,26)