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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

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