N-[(4-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(4-fluorobenzyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]propionamide Formula: C20H23FN4O3S2 MolecularWeight: 450.550023

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O3S2/c1-3-10-25-18-9-8-16(30(22,27)28)11-17(18)24-20(25)29-13(2)19(26)23-12-14-4-6-15(21)7-5-14/h4-9,11,13H,3,10,12H2,1-2H3,(H,23,26)(H2,22,27,28)