1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-1-ethyl-2-pyrrolidinyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]thiourea Traditional Name: 1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-piperonyl-thiourea Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN1CCC[C@@H]1CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H23N3O2S/c1-2-19-7-3-4-13(19)10-18-16(22)17-9-12-5-6-14-15(8-12)21-11-20-14/h5-6,8,13H,2-4,7,9-11H2,1H3,(H2,17,18,22)/t13-/m1/s1