3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(2-fluorobenzyl)-1-(3-pyridylmethyl)thiourea Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C22H22FN3O2S/c1-27-20-10-9-18(12-21(20)28-2)25-22(29)26(14-16-6-5-11-24-13-16)15-17-7-3-4-8-19(17)23/h3-13H,14-15H2,1-2H3,(H,25,29)