(4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-yl-cyclohexane-1-carboximidothioate

Systemtic Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-yl-cyclohexane-1-carboximidothioate Openeye Name: (4-methoxyphenyl)methyl (1S,2R)-2-[(E)-cinnamyl]-N-methyl-1-(3-pyridyl)cyclohexanecarboximidothioate CAS Name: (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-(3-pyridinyl)-1-cyclohexanecarboximidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-[(E)-3-phenylprop-2-enyl]-1-pyridin-3-ylcyclohexane-1-carboximidothioate Traditional Name: (1S,2R)-2-[(E)-cinnamyl]-N-methyl-1-(3-pyridyl)cyclohexanecarboximidothioic acid p-anisyl ester Formula: C30H34N2OS MolecularWeight: 470.66876

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1CC=CC2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN=C([C@]1(CCCC[C@@H]1C/C=C/C2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H34N2OS/c1-31-29(34-23-25-16-18-28(33-2)19-17-25)30(27-15-9-21-32-22-27)20-7-6-13-26(30)14-8-12-24-10-4-3-5-11-24/h3-5,8-12,15-19,21-22,26H,6-7,13-14,20,23H2,1-2H3/b12-8+,31-29?/t26-,30+/m1/s1