1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-pentyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-pentyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidyl)-3-pentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methyl-4-piperidinyl)-3-pentylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-pentylthiourea Traditional Name: 3-amyl-1-(1-methyl-4-piperidyl)-1-piperonyl-thiourea Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

Isomeric SMILES

CCCCCNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CCN(CC3)C

InChI

InChI=1S/C20H31N3O2S/c1-3-4-5-10-21-20(26)23(17-8-11-22(2)12-9-17)14-16-6-7-18-19(13-16)25-15-24-18/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,21,26)