3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(2-furylmethyl)thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(2-furanylmethyl)thiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-[(4-dimethylaminophenyl)methyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-[4-(dimethylamino)benzyl]-1-(2-furfuryl)thiourea Formula: C21H21ClFN3OS MolecularWeight: 417.927343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H21ClFN3OS/c1-25(2)17-8-5-15(6-9-17)13-26(14-18-4-3-11-27-18)21(28)24-16-7-10-20(23)19(22)12-16/h3-12H,13-14H2,1-2H3,(H,24,28)