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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-octyl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)-3-octyl-thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)-3-octylthiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-octylthiourea Traditional Name: 1-homoveratryl-1-(1-methyl-4-piperidyl)-3-octyl-thiourea Formula: C25H43N3O2S MolecularWeight: 449.69282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)N(CCC1=CC(=C(C=C1)OC)OC)C2CCN(CC2)C

Isomeric SMILES

CCCCCCCCNC(=S)N(CCC1=CC(=C(C=C1)OC)OC)C2CCN(CC2)C

InChI

InChI=1S/C25H43N3O2S/c1-5-6-7-8-9-10-16-26-25(31)28(22-14-17-27(2)18-15-22)19-13-21-11-12-23(29-3)24(20-21)30-4/h11-12,20,22H,5-10,13-19H2,1-4H3,(H,26,31)