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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C21H19ClFN3OS MolecularWeight: 415.911463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H19ClFN3OS/c1-27-17-9-7-16(8-10-17)25-21(28)26(13-15-4-3-11-24-12-15)14-18-19(22)5-2-6-20(18)23/h2-12H,13-14H2,1H3,(H,25,28)