1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)-1-methyl-thiourea

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)-1-methyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)-1-methyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)-1-methylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)-1-methylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)-1-methyl-thiourea Formula: C17H17FN2O2S MolecularWeight: 332.392483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C17H17FN2O2S/c1-20(17(23)19-14-7-3-2-6-13(14)18)10-12-11-21-15-8-4-5-9-16(15)22-12/h2-9,12H,10-11H2,1H3,(H,19,23)/t12-/m0/s1