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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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