2-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]ethyl-diethyl-ammonium CAS Name: 2-[[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoylamino]ethyl-diethylazanium Traditional Name: 2-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propanoylamino]ethyl-diethyl-ammonium Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CCNC1=NS(=O)(=O)C2=CC=CC=C21

InChI

InChI=1S/C16H24N4O3S/c1-3-20(4-2)12-11-17-15(21)9-10-18-16-13-7-5-6-8-14(13)24(22,23)19-16/h5-8H,3-4,9-12H2,1-2H3,(H,17,21)(H,18,19)/p+1