1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-(2-methyl-6-propan-2-yl-phenyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-(2-methyl-6-propan-2-yl-phenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-isopropyl-6-methyl-phenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-(2-methyl-6-propan-2-ylphenyl)thiourea Traditional Name: 1-homoveratryl-3-(2-isopropyl-6-methyl-phenyl)-1-(1-methyl-4-piperidyl)thiourea Formula: C27H39N3O2S MolecularWeight: 469.68246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

InChI

InChI=1S/C27H39N3O2S/c1-19(2)23-9-7-8-20(3)26(23)28-27(33)30(22-13-15-29(4)16-14-22)17-12-21-10-11-24(31-5)25(18-21)32-6/h7-11,18-19,22H,12-17H2,1-6H3,(H,28,33)