(5S,7R)-3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolyl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-(4-methylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(p-tolyl)adamantane-1-carboxamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NC5=NC6=C(S5)C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O3S/c1-15-2-4-18(5-3-15)24-10-16-8-17(11-24)13-25(12-16,14-24)22(29)27-23-26-20-7-6-19(28(30)31)9-21(20)32-23/h2-7,9,16-17H,8,10-14H2,1H3,(H,26,27,29)/t16-,17+,24?,25?