N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Formula: C19H20ClFN2O2S MolecularWeight: 394.890703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=S)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C19H20ClFN2O2S/c1-24-17-8-5-12(10-18(17)25-2)16-4-3-9-23(16)19(26)22-13-6-7-15(21)14(20)11-13/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,22,26)