(4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-phenethyl-1-pyridin-3-yl-cyclohexane-1-carboximidothioate

Systemtic Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-phenethyl-1-pyridin-3-yl-cyclohexane-1-carboximidothioate Openeye Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-phenethyl-1-(3-pyridyl)cyclohexanecarboximidothioate CAS Name: (1S,2R)-N-methyl-2-phenethyl-1-(3-pyridinyl)-1-cyclohexanecarboximidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (1S,2R)-N-methyl-2-phenethyl-1-pyridin-3-ylcyclohexane-1-carboximidothioate Traditional Name: (1S,2R)-N-methyl-2-phenethyl-1-(3-pyridyl)cyclohexanecarboximidothioic acid p-anisyl ester Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1CCC2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN=C([C@]1(CCCC[C@@H]1CCC2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H34N2OS/c1-30-28(33-22-24-14-17-27(32-2)18-15-24)29(26-12-8-20-31-21-26)19-7-6-11-25(29)16-13-23-9-4-3-5-10-23/h3-5,8-10,12,14-15,17-18,20-21,25H,6-7,11,13,16,19,22H2,1-2H3/t25-,29+/m1/s1