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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-[2-[4-(methylthio)phenyl]ethyl]acetamide Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O5S2/c1-34-20-8-6-19(7-9-20)12-13-26-24(29)17-28-22-16-21(10-11-23(22)33-18-25(28)30)35(31,32)27-14-4-2-3-5-15-27/h6-11,16H,2-5,12-15,17-18H2,1H3,(H,26,29)