1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(2-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(2-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(4-fluorophenyl)-1-piperonyl-1-(2-pyridylmethyl)thiourea Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=N3)C(=S)NC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=CC=N3)C(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2S/c22-16-5-7-17(8-6-16)24-21(28)25(13-18-3-1-2-10-23-18)12-15-4-9-19-20(11-15)27-14-26-19/h1-11H,12-14H2,(H,24,28)