1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cyclooctyl-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C23H29N3O2S/c29-23(25-19-8-4-2-1-3-5-9-19)26(16-20-10-6-7-13-24-20)15-18-11-12-21-22(14-18)28-17-27-21/h6-7,10-14,19H,1-5,8-9,15-17H2,(H,25,29)