1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-(2-fluorophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-(2-fluorophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-cyclohex-3-enylmethyl)-3-(2-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(cyclohex-3-en-1-ylmethyl)-3-(2-fluorophenyl)thiourea Traditional Name: 1-(cyclohex-3-en-1-ylmethyl)-3-(2-fluorophenyl)-1-piperonyl-thiourea Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4F

Isomeric SMILES

C1CC(CC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC=C4F

InChI

InChI=1S/C22H23FN2O2S/c23-18-8-4-5-9-19(18)24-22(28)25(13-16-6-2-1-3-7-16)14-17-10-11-20-21(12-17)27-15-26-20/h1-2,4-5,8-12,16H,3,6-7,13-15H2,(H,24,28)