1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloranyl-2-methyl-phenyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloranyl-2-methyl-phenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methyl-phenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-2-methylphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(4-chloro-2-methyl-phenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C22H20ClN3O2S MolecularWeight: 425.9311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

InChI=1S/C22H20ClN3O2S/c1-15-10-17(23)6-7-19(15)25-22(29)26(13-18-4-2-3-9-24-18)12-16-5-8-20-21(11-16)28-14-27-20/h2-11H,12-14H2,1H3,(H,25,29)