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

Systemtic Name: (5S,7R)-3-chloranyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[4-(p-tolyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[4-(4-methylphenyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[4-(p-tolyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2OS/c1-13-2-4-16(5-3-13)17-11-26-19(23-17)24-18(25)20-7-14-6-15(8-20)10-21(22,9-14)12-20/h2-5,11,14-15H,6-10,12H2,1H3,(H,23,24,25)/t14-,15+,20?,21?