2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-propylsulfanylpropyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-propylsulfanylpropyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-propylsulfanylpropyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(propylthio)propyl]acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-propylsulfanylpropyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-[3-(propylthio)propyl]acetamide Formula: C22H33N3O5S2 MolecularWeight: 483.64452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O5S2/c1-2-13-31-14-7-10-23-21(26)16-25-19-15-18(8-9-20(19)30-17-22(25)27)32(28,29)24-11-5-3-4-6-12-24/h8-9,15H,2-7,10-14,16-17H2,1H3,(H,23,26)