3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(phenylmethyl)pyrrolidin-3-yl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpyrrolidin-3-yl)-1-ethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-[1-(phenylmethyl)-3-pyrrolidinyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpyrrolidin-3-yl)-1-ethylthiourea Traditional Name: 1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-piperonyl-thiourea Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C1CCN(C1)CC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O2S/c1-2-25(19-10-11-24(15-19)14-17-6-4-3-5-7-17)22(28)23-13-18-8-9-20-21(12-18)27-16-26-20/h3-9,12,19H,2,10-11,13-16H2,1H3,(H,23,28)