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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 1-homoveratryl-1-(1-methyl-4-piperidyl)-3-o-phenetyl-thiourea Formula: C25H35N3O3S MolecularWeight: 457.6287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

InChI

InChI=1S/C25H35N3O3S/c1-5-31-22-9-7-6-8-21(22)26-25(32)28(20-13-15-27(2)16-14-20)17-12-19-10-11-23(29-3)24(18-19)30-4/h6-11,18,20H,5,12-17H2,1-4H3,(H,26,32)