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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylthio)propyl]acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(3-cyclohexylsulfanylpropyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzoxazin-4-yl]-N-[3-(cyclohexylthio)propyl]acetamide Formula: C25H37N3O5S2 MolecularWeight: 523.70838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCCCSC4CCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)NCCCSC4CCCCC4

InChI

InChI=1S/C25H37N3O5S2/c29-24(26-13-8-16-34-20-9-4-3-5-10-20)18-28-22-17-21(11-12-23(22)33-19-25(28)30)35(31,32)27-14-6-1-2-7-15-27/h11-12,17,20H,1-10,13-16,18-19H2,(H,26,29)