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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-4-methyl-phenyl)-1-(4-fluorophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4-methyl-phenyl)-1-(4-fluorophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4-methylphenyl)-1-(4-fluorophenyl)thiourea Traditional Name: 3-(2-chloro-4-methyl-phenyl)-1-(4-fluorophenyl)-1-piperonyl-thiourea Formula: C22H18ClFN2O2S MolecularWeight: 428.906923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O2S/c1-14-2-8-19(18(23)10-14)25-22(29)26(17-6-4-16(24)5-7-17)12-15-3-9-20-21(11-15)28-13-27-20/h2-11H,12-13H2,1H3,(H,25,29)