N-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]benzamide CAS Name: N-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]benzamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CSC(=N5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CSC(=N5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2OS/c1-18-7-9-22(10-8-18)26-12-19-11-20(13-26)15-27(14-19,17-26)23-16-31-25(28-23)29-24(30)21-5-3-2-4-6-21/h2-10,16,19-20H,11-15,17H2,1H3,(H,28,29,30)/t19-,20+,26?,27?