(E)-3-[2-(2,4-dimethylphenyl)sulfanylphenyl]-N-(6-methyl-6-oxidanyl-heptan-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[2-(2,4-dimethylphenyl)sulfanylphenyl]-N-(6-methyl-6-oxidanyl-heptan-2-yl)prop-2-enamide Openeye Name: (E)-3-[2-(2,4-dimethylphenyl)sulfanylphenyl]-N-(5-hydroxy-1,5-dimethyl-hexyl)prop-2-enamide CAS Name: (E)-3-[2-[(2,4-dimethylphenyl)thio]phenyl]-N-(6-hydroxy-6-methylheptan-2-yl)-2-propenamide IUPAC Name: (E)-3-[2-(2,4-dimethylphenyl)sulfanylphenyl]-N-(6-hydroxy-6-methylheptan-2-yl)prop-2-enamide Traditional Name: (E)-3-[2-[(2,4-dimethylphenyl)thio]phenyl]-N-(5-hydroxy-1,5-dimethyl-hexyl)acrylamide Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2C=CC(=O)NC(C)CCCC(C)(C)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2/C=C/C(=O)NC(C)CCCC(C)(C)O)C

InChI

InChI=1S/C25H33NO2S/c1-18-12-14-22(19(2)17-18)29-23-11-7-6-10-21(23)13-15-24(27)26-20(3)9-8-16-25(4,5)28/h6-7,10-15,17,20,28H,8-9,16H2,1-5H3,(H,26,27)/b15-13+