4-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]piperazin-2-one

Systemtic Name: 4-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]piperazin-2-one Openeye Name: 4-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperazin-2-one CAS Name: 4-[2-[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2-piperazinone IUPAC Name: 4-[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperazin-2-one Traditional Name: 4-[2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]piperazin-2-one Formula: C18H21F3N4O2S MolecularWeight: 414.44515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)N3CCNC(=O)C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC(=O)N3CCNC(=O)C3

InChI

InChI=1S/C18H21F3N4O2S/c1-2-3-7-25-14-5-4-12(18(19,20)21)9-13(14)23-17(25)28-11-16(27)24-8-6-22-15(26)10-24/h4-5,9H,2-3,6-8,10-11H2,1H3,(H,22,26)