(5S,7R)-3-acetamido-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[(2-phenylthiazol-4-yl)methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[(2-phenyl-4-thiazolyl)methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[(2-phenylthiazol-4-yl)methyl]adamantane-1-carboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NCC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N3O2S/c1-15(27)26-23-10-16-7-17(11-23)9-22(8-16,14-23)21(28)24-12-19-13-29-20(25-19)18-5-3-2-4-6-18/h2-6,13,16-17H,7-12,14H2,1H3,(H,24,28)(H,26,27)/t16-,17+,22?,23?