2-[1,3-benzothiazol-2-yl(1,3-benzothiazol-6-ylcarbonyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl(1,3-benzothiazol-6-ylcarbonyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazole-6-carbonyl(1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[1,3-benzothiazol-6-yl(oxo)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazole-6-carbonyl(1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazole-6-carbonyl(1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H22N4OS2/c1-3-24(4-2)11-12-25(21-23-17-7-5-6-8-18(17)28-21)20(26)15-9-10-16-19(13-15)27-14-22-16/h5-10,13-14H,3-4,11-12H2,1-2H3/p+1