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

Systemtic Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-(2-pyridylmethyl)-1-veratryl-thiourea Formula: C24H33N3O2S MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2S/c1-28-22-14-13-19(16-23(22)29-2)17-27(18-21-12-8-9-15-25-21)24(30)26-20-10-6-4-3-5-7-11-20/h8-9,12-16,20H,3-7,10-11,17-18H2,1-2H3,(H,26,30)