(5S,7R)-3-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C21H25N3O2S/c1-12-4-3-5-16-17(12)22-19(27-16)23-18(26)20-7-14-6-15(8-20)10-21(9-14,11-20)24-13(2)25/h3-5,14-15H,6-11H2,1-2H3,(H,24,25)(H,22,23,26)/t14-,15+,20?,21?