N-(3-butylsulfanylpropyl)-2-(6-morpholin-4-ylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(3-butylsulfanylpropyl)-2-(6-morpholin-4-ylsulfonyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(3-butylsulfanylpropyl)-2-(6-morpholinosulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(butylthio)propyl]-2-[6-(4-morpholinylsulfonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-(3-butylsulfanylpropyl)-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-(butylthio)propyl]-2-(3-keto-6-morpholinosulfonyl-1,4-benzoxazin-4-yl)acetamide Formula: C21H31N3O6S2 MolecularWeight: 485.61734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCSCCCNC(=O)CN1C(=O)COC2=C1C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O6S2/c1-2-3-12-31-13-4-7-22-20(25)15-24-18-14-17(5-6-19(18)30-16-21(24)26)32(27,28)23-8-10-29-11-9-23/h5-6,14H,2-4,7-13,15-16H2,1H3,(H,22,25)