2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl-tert-butyl-amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl-tert-butyl-amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-tert-butyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-tert-butylamino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-tert-butylamino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(1H-benzimidazol-2-ylthio)acetyl]-tert-butyl-amino]-N-(4-fluorophenyl)acetamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)N(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H23FN4O2S/c1-21(2,3)26(12-18(27)23-15-10-8-14(22)9-11-15)19(28)13-29-20-24-16-6-4-5-7-17(16)25-20/h4-11H,12-13H2,1-3H3,(H,23,27)(H,24,25)