ethyl N-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]carbamate CAS Name: N-[2-[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]carbamate Traditional Name: N-[2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]carbamic acid ethyl ester Formula: C17H20F3N3O3S MolecularWeight: 403.41921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)NC(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)NC(=O)OCC

InChI

InChI=1S/C17H20F3N3O3S/c1-3-5-8-23-13-7-6-11(17(18,19)20)9-12(13)21-15(23)27-10-14(24)22-16(25)26-4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,22,24,25)