N-[4-(2-adamantyl)phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

Systemtic Name: N-[4-(2-adamantyl)phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide Openeye Name: N-[4-(2-adamantyl)phenyl]-4-(p-tolylsulfanylmethyl)benzamide CAS Name: N-[4-(2-adamantyl)phenyl]-4-[[(4-methylphenyl)thio]methyl]benzamide IUPAC Name: N-[4-(2-adamantyl)phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide Traditional Name: N-[4-(2-adamantyl)phenyl]-4-[(p-tolylthio)methyl]benzamide Formula: C31H33NOS MolecularWeight: 467.66482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H33NOS/c1-20-2-12-29(13-3-20)34-19-21-4-6-25(7-5-21)31(33)32-28-10-8-24(9-11-28)30-26-15-22-14-23(17-26)18-27(30)16-22/h2-13,22-23,26-27,30H,14-19H2,1H3,(H,32,33)