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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-1-phenethyl-thiourea Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)-1-phenethylthiourea IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-1-phenethylthiourea Traditional Name: 3-homoveratryl-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CCC2=CC=CC=C2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1CCC(CC1)N(CCC2=CC=CC=C2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H35N3O2S/c1-27-16-13-22(14-17-27)28(18-12-20-7-5-4-6-8-20)25(31)26-15-11-21-9-10-23(29-2)24(19-21)30-3/h4-10,19,22H,11-18H2,1-3H3,(H,26,31)