N-(1-adamantyl)-4-(2-phenylsulfanylethoxy)benzamide

Systemtic Name: N-(1-adamantyl)-4-(2-phenylsulfanylethoxy)benzamide Openeye Name: N-(1-adamantyl)-4-(2-phenylsulfanylethoxy)benzamide CAS Name: N-(1-adamantyl)-4-[2-(phenylthio)ethoxy]benzamide IUPAC Name: N-(1-adamantyl)-4-(2-phenylsulfanylethoxy)benzamide Traditional Name: N-(1-adamantyl)-4-[2-(phenylthio)ethoxy]benzamide Formula: C25H29NO2S MolecularWeight: 407.56826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)OCCSC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)OCCSC5=CC=CC=C5

InChI

InChI=1S/C25H29NO2S/c27-24(26-25-15-18-12-19(16-25)14-20(13-18)17-25)21-6-8-22(9-7-21)28-10-11-29-23-4-2-1-3-5-23/h1-9,18-20H,10-17H2,(H,26,27)