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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4

InChI

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