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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC2=CN=CC=C2)C(=S)NC3CCCCCCC3

InChI

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