3-(3,4-dimethylphenyl)-N-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide

Systemtic Name: 3-(3,4-dimethylphenyl)-N-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]propanethioamide Openeye Name: 3-(3,4-dimethylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide CAS Name: 3-(3,4-dimethylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide IUPAC Name: 3-(3,4-dimethylphenyl)-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]propanethioamide Traditional Name: 3-(3,4-dimethylphenyl)-N-[3-fluoro-4-(methanesulfonamido)benzyl]thiopropionamide Formula: C19H23FN2O2S2 MolecularWeight: 394.526523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)F)C

InChI

InChI=1S/C19H23FN2O2S2/c1-13-4-5-15(10-14(13)2)7-9-19(25)21-12-16-6-8-18(17(20)11-16)22-26(3,23)24/h4-6,8,10-11,22H,7,9,12H2,1-3H3,(H,21,25)