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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C)C(C)C

InChI

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