tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-6-(methylsulfonylamino)hexyl]carbamate

Systemtic Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-6-(methylsulfonylamino)hexyl]carbamate Openeye Name: tert-butyl N-[6-(methanesulfonamido)-1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)hexyl]carbamate CAS Name: N-[6-(methanesulfonamido)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-(methanesulfonamido)-1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)hexyl]carbamate Traditional Name: N-[6-(methanesulfonamido)-1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)hexyl]carbamic acid tert-butyl ester Formula: C21H33N3O5S2 MolecularWeight: 471.63382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CCCCCNS(=O)(=O)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CCCCCNS(=O)(=O)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5S2/c1-14-19(30)23-17-13-15(10-11-18(17)28-14)16(24-20(25)29-21(2,3)4)9-7-6-8-12-22-31(5,26)27/h10-11,13-14,16,22H,6-9,12H2,1-5H3,(H,23,30)(H,24,25)