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

Systemtic Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(4-sulfamoylphenyl)ethyl]carbamate Openeye Name: tert-butyl N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-2-(4-sulfamoylphenyl)ethyl]carbamate CAS Name: N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(4-sulfamoylphenyl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-2-(4-sulfamoylphenyl)ethyl]carbamate Traditional Name: N-[1-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-2-(4-sulfamoylphenyl)ethyl]carbamic acid tert-butyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)S(=O)(=O)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(CC3=CC=C(C=C3)S(=O)(=O)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N3O5S2/c1-13-20(31)24-18-12-15(7-10-19(18)29-13)17(25-21(26)30-22(2,3)4)11-14-5-8-16(9-6-14)32(23,27)28/h5-10,12-13,17H,11H2,1-4H3,(H,24,31)(H,25,26)(H2,23,27,28)