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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

InChI

InChI=1S/C25H35N3O2S/c1-19(21-8-6-5-7-9-21)26-25(31)28(22-13-15-27(2)16-14-22)17-12-20-10-11-23(29-3)24(18-20)30-4/h5-11,18-19,22H,12-17H2,1-4H3,(H,26,31)