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

Systemtic Name: N-(4-acetamidophenyl)-2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-ethyl-amino]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-ethyl-amino]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-ethylamino]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-ethylamino]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-ethyl-amino]acetamide Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H22N4O4S/c1-3-25(12-19(27)23-16-10-8-15(9-11-16)22-14(2)26)20(28)13-30-21-24-17-6-4-5-7-18(17)29-21/h4-11H,3,12-13H2,1-2H3,(H,22,26)(H,23,27)