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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F)OC

InChI

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