N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H21N3O3S/c1-10-2-16-14(6-15(10)22(24)25)20-18(26-16)21-17(23)19-7-11-3-12(8-19)5-13(4-11)9-19/h2,6,11-13H,3-5,7-9H2,1H3,(H,20,21,23)