N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide Openeye Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-(p-tolylsulfanylmethyl)benzamide CAS Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-[[(4-methylphenyl)thio]methyl]benzamide IUPAC Name: N-[1-(4-methoxyphenyl)-3-methylbutyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide Traditional Name: N-[1-(4-methoxyphenyl)-3-methyl-butyl]-4-[(p-tolylthio)methyl]benzamide Formula: C27H31NO2S MolecularWeight: 433.60554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC(CC(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC(CC(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H31NO2S/c1-19(2)17-26(22-11-13-24(30-4)14-12-22)28-27(29)23-9-7-21(8-10-23)18-31-25-15-5-20(3)6-16-25/h5-16,19,26H,17-18H2,1-4H3,(H,28,29)