N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H21N3O4S/c1-26-14-5-13(22(24)25)6-15-16(14)20-18(27-15)21-17(23)19-7-10-2-11(8-19)4-12(3-10)9-19/h5-6,10-12H,2-4,7-9H2,1H3,(H,20,21,23)