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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-4-methoxy-phenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4-methoxy-phenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4-methoxyphenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4-methoxyphenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CC=N4)Cl

InChI

InChI=1S/C22H20ClN3O3S/c1-27-17-6-7-19(18(23)11-17)25-22(30)26(13-16-4-2-3-9-24-16)12-15-5-8-20-21(10-15)29-14-28-20/h2-11H,12-14H2,1H3,(H,25,30)