3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-homoveratryl-1-(2-pyridylmethyl)thiourea Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3CCCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC=CC=N2)C(=S)NC3CCCCCCC3)OC

InChI

InChI=1S/C25H35N3O2S/c1-29-23-14-13-20(18-24(23)30-2)15-17-28(19-22-12-8-9-16-26-22)25(31)27-21-10-6-4-3-5-7-11-21/h8-9,12-14,16,18,21H,3-7,10-11,15,17,19H2,1-2H3,(H,27,31)