N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H27N3O6S/c1-30-16-7-15(18(26(28)29)20(32-3)19(16)31-2)21(27)25-22-24-17(11-33-22)23-8-12-4-13(9-23)6-14(5-12)10-23/h7,11-14H,4-6,8-10H2,1-3H3,(H,24,25,27)