1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-(4-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3-p-phenetyl-1-(3-pyridylmethyl)thiourea Formula: C22H21ClFN3OS MolecularWeight: 429.938043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H21ClFN3OS/c1-2-28-18-10-8-17(9-11-18)26-22(29)27(14-16-5-4-12-25-13-16)15-19-20(23)6-3-7-21(19)24/h3-13H,2,14-15H2,1H3,(H,26,29)