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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-ethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-ethylthiourea Traditional Name: 1-benzyl-1-ethyl-3-piperonyl-thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O2S/c1-2-20(12-14-6-4-3-5-7-14)18(23)19-11-15-8-9-16-17(10-15)22-13-21-16/h3-10H,2,11-13H2,1H3,(H,19,23)