N-[4-(1-adamantyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-4-[2-(phenylthio)ethoxy]benzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-4-(2-phenylsulfanylethoxy)benzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-4-[2-(phenylthio)ethoxy]benzamide Formula: C31H33NO2S MolecularWeight: 483.66422

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OCCSC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)OCCSC6=CC=CC=C6

InChI

InChI=1S/C31H33NO2S/c33-30(25-6-12-28(13-7-25)34-14-15-35-29-4-2-1-3-5-29)32-27-10-8-26(9-11-27)31-19-22-16-23(20-31)18-24(17-22)21-31/h1-13,22-24H,14-21H2,(H,32,33)