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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-isobutyl-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)-3-(2-methylpropyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-(2-methylpropyl)thiourea Traditional Name: 1-homoveratryl-3-isobutyl-1-(1-methyl-4-piperidyl)thiourea Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O2S/c1-16(2)15-22-21(27)24(18-9-11-23(3)12-10-18)13-8-17-6-7-19(25-4)20(14-17)26-5/h6-7,14,16,18H,8-13,15H2,1-5H3,(H,22,27)