[5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(diethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]-ethyl-ammonium CAS Name: [5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl]-ethylazanium Traditional Name: benzyl-[[5-(diethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl]-ethyl-ammonium Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)OC2=S

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)OC2=S

InChI

InChI=1S/C21H27N3O3S2/c1-4-22(15-17-10-8-7-9-11-17)16-24-19-14-18(12-13-20(19)27-21(24)28)29(25,26)23(5-2)6-3/h7-14H,4-6,15-16H2,1-3H3/p+1