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

Systemtic Name: (E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-(6-methyl-6-oxidanyl-heptan-2-yl)prop-2-enamide Openeye Name: (E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-(5-hydroxy-1,5-dimethyl-hexyl)prop-2-enamide CAS Name: (E)-3-[2-[(4-chlorophenyl)thio]phenyl]-N-(6-hydroxy-6-methylheptan-2-yl)-2-propenamide IUPAC Name: (E)-3-[2-(4-chlorophenyl)sulfanylphenyl]-N-(6-hydroxy-6-methylheptan-2-yl)prop-2-enamide Traditional Name: (E)-3-[2-[(4-chlorophenyl)thio]phenyl]-N-(5-hydroxy-1,5-dimethyl-hexyl)acrylamide Formula: C23H28ClNO2S MolecularWeight: 417.99192

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NC(=O)C=CC1=CC=CC=C1SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(CCCC(C)(C)O)NC(=O)/C=C/C1=CC=CC=C1SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H28ClNO2S/c1-17(7-6-16-23(2,3)27)25-22(26)15-10-18-8-4-5-9-21(18)28-20-13-11-19(24)12-14-20/h4-5,8-15,17,27H,6-7,16H2,1-3H3,(H,25,26)/b15-10+