3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)thiourea CAS Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 3-cyclooctyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-cyclooctyl-1-homoveratryl-1-(1-methyl-4-piperidyl)thiourea Formula: C25H41N3O2S MolecularWeight: 447.67694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CCC2=CC(=C(C=C2)OC)OC)C(=S)NC3CCCCCCC3

Isomeric SMILES

CN1CCC(CC1)N(CCC2=CC(=C(C=C2)OC)OC)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C25H41N3O2S/c1-27-16-14-22(15-17-27)28(25(31)26-21-9-7-5-4-6-8-10-21)18-13-20-11-12-23(29-2)24(19-20)30-3/h11-12,19,21-22H,4-10,13-18H2,1-3H3,(H,26,31)