N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-ethyl-N-(3-fluorobenzyl)-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C21H25FN4O3S2 MolecularWeight: 464.576603

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(CC)CC3=CC(=CC=C3)F

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N(CC)CC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN4O3S2/c1-3-10-26-19-9-8-17(31(23,28)29)12-18(19)24-21(26)30-14-20(27)25(4-2)13-15-6-5-7-16(22)11-15/h5-9,11-12H,3-4,10,13-14H2,1-2H3,(H2,23,28,29)