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

Systemtic Name: [5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-di(propan-2-yl)azanium Openeye Name: [5-(diethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl-diisopropyl-ammonium CAS Name: [5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-di(propan-2-yl)ammonium IUPAC Name: [5-(diethylsulfamoyl)-2-sulfanylidene-1,3-benzoxazol-3-yl]methyl-di(propan-2-yl)azanium Traditional Name: [5-(diethylsulfamoyl)-2-thioxo-1,3-benzoxazol-3-yl]methyl-diisopropyl-ammonium Formula: C18H30N3O3S2+ MolecularWeight: 400.5791

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C(C)C)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+](C(C)C)C(C)C

InChI

InChI=1S/C18H29N3O3S2/c1-7-19(8-2)26(22,23)15-9-10-17-16(11-15)21(18(25)24-17)12-20(13(3)4)14(5)6/h9-11,13-14H,7-8,12H2,1-6H3/p+1