2-[(4-tert-butylphenyl)methyl]-N-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]butanethioamide

Systemtic Name: 2-[(4-tert-butylphenyl)methyl]-N-[[3-fluoranyl-4-(methylsulfonylamino)phenyl]methyl]butanethioamide Openeye Name: 2-[(4-tert-butylphenyl)methyl]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]butanethioamide CAS Name: 2-[(4-tert-butylphenyl)methyl]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]butanethioamide IUPAC Name: 2-[(4-tert-butylphenyl)methyl]-N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]butanethioamide Traditional Name: 2-(4-tert-butylbenzyl)-N-[3-fluoro-4-(methanesulfonamido)benzyl]thiobutyramide Formula: C23H31FN2O2S2 MolecularWeight: 450.632843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN2O2S2/c1-6-18(13-16-7-10-19(11-8-16)23(2,3)4)22(29)25-15-17-9-12-21(20(24)14-17)26-30(5,27)28/h7-12,14,18,26H,6,13,15H2,1-5H3,(H,25,29)