2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: 2-[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C17H21F3N4O2S MolecularWeight: 402.43445

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SC(C)C(=O)NC(=O)NC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SC(C)C(=O)NC(=O)NC

InChI

InChI=1S/C17H21F3N4O2S/c1-4-5-8-24-13-7-6-11(17(18,19)20)9-12(13)22-16(24)27-10(2)14(25)23-15(26)21-3/h6-7,9-10H,4-5,8H2,1-3H3,(H2,21,23,25,26)