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

Systemtic Name: N-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]-4-phenyl-benzamide Openeye Name: 4-phenyl-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]-4-phenylbenzamide IUPAC Name: N-[4-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1,3-thiazol-2-yl]-4-phenylbenzamide Traditional Name: 4-phenyl-N-[4-[(5S,7R)-3-(p-tolyl)-1-adamantyl]thiazol-2-yl]benzamide Formula: C33H32N2OS MolecularWeight: 504.68498

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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=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C5=CSC(=N5)NC(=O)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C33H32N2OS/c1-22-7-13-28(14-8-22)32-16-23-15-24(17-32)19-33(18-23,21-32)29-20-37-31(34-29)35-30(36)27-11-9-26(10-12-27)25-5-3-2-4-6-25/h2-14,20,23-24H,15-19,21H2,1H3,(H,34,35,36)/t23-,24+,32?,33?