N-(4-fluorophenyl)-2-[methyl-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]amino]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[methyl-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]amino]ethanamide Openeye Name: 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[methyl-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[methyl-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: 2-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H21FN4O2S/c1-3-12-26-18-7-5-4-6-17(18)24-21(26)29-14-20(28)25(2)13-19(27)23-16-10-8-15(22)9-11-16/h3-11H,1,12-14H2,2H3,(H,23,27)