2-[2-[C-[(4-methoxyphenyl)methylsulfanyl]-N-methyl-carbonimidoyl]-2-pyridin-3-yl-cyclohexyl]ethyl benzoate

Systemtic Name: 2-[2-[C-[(4-methoxyphenyl)methylsulfanyl]-N-methyl-carbonimidoyl]-2-pyridin-3-yl-cyclohexyl]ethyl benzoate Openeye Name: 2-[2-[C-[(4-methoxyphenyl)methylsulfanyl]-N-methyl-carbonimidoyl]-2-(3-pyridyl)cyclohexyl]ethyl benzoate CAS Name: benzoic acid 2-[2-[[(4-methoxyphenyl)methylthio]-methyliminomethyl]-2-(3-pyridinyl)cyclohexyl]ethyl ester IUPAC Name: 2-[2-[C-[(4-methoxyphenyl)methylsulfanyl]-N-methylcarbonimidoyl]-2-pyridin-3-ylcyclohexyl]ethyl benzoate Traditional Name: benzoic acid 2-[2-[N-methyl-C-(p-anisylthio)carbonimidoyl]-2-(3-pyridyl)cyclohexyl]ethyl ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1(CCCCC1CCOC(=O)C2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN=C(C1(CCCCC1CCOC(=O)C2=CC=CC=C2)C3=CN=CC=C3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H34N2O3S/c1-31-29(36-22-23-13-15-27(34-2)16-14-23)30(26-12-8-19-32-21-26)18-7-6-11-25(30)17-20-35-28(33)24-9-4-3-5-10-24/h3-5,8-10,12-16,19,21,25H,6-7,11,17-18,20,22H2,1-2H3