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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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