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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-pentyl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)-3-pentyl-thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)-3-pentylthiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)-3-pentylthiourea Traditional Name: 3-amyl-1-homoveratryl-1-(1-methyl-4-piperidyl)thiourea Formula: C22H37N3O2S MolecularWeight: 407.61308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37N3O2S/c1-5-6-7-13-23-22(28)25(19-11-14-24(2)15-12-19)16-10-18-8-9-20(26-3)21(17-18)27-4/h8-9,17,19H,5-7,10-16H2,1-4H3,(H,23,28)