N-(4-tert-butylphenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H24N2O4S2/c1-5-29(25,26)16-10-11-18-17(12-16)23-20(27-18)28-13-19(24)22-15-8-6-14(7-9-15)21(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,24)