1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-pentyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-pentyl-1-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-pentylthiourea Traditional Name: 3-amyl-1-benzyl-1-piperonyl-thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCNC(=S)N(CC1=CC=CC=C1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H26N2O2S/c1-2-3-7-12-22-21(26)23(14-17-8-5-4-6-9-17)15-18-10-11-19-20(13-18)25-16-24-19/h4-6,8-11,13H,2-3,7,12,14-16H2,1H3,(H,22,26)