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

Systemtic Name: (5S,7R)-3-acetamido-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[4-(2,5-dimethylphenyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[4-(2,5-dimethylphenyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C24H29N3O2S/c1-14-4-5-15(2)19(6-14)20-12-30-22(25-20)26-21(29)23-8-17-7-18(9-23)11-24(10-17,13-23)27-16(3)28/h4-6,12,17-18H,7-11,13H2,1-3H3,(H,27,28)(H,25,26,29)/t17-,18+,23?,24?