2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-ethyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-ethyl-amino]-N-(4-fluorobenzyl)acetamide Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H20FN3O3S/c1-2-24(12-18(25)22-11-14-7-9-15(21)10-8-14)19(26)13-28-20-23-16-5-3-4-6-17(16)27-20/h3-10H,2,11-13H2,1H3,(H,22,25)