2-[(4-cyanophenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethyl-ammonium Formula: C20H21N4OS2+ MolecularWeight: 397.53694

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4OS2/c1-23(2)11-12-24(19(25)15-9-7-14(13-21)8-10-15)20-22-18-16(26-3)5-4-6-17(18)27-20/h4-10H,11-12H2,1-3H3/p+1