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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CN=CC=C4

InChI

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