2-[(4-cyanophenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O2S/c1-4-26(5-2)13-14-27(22(28)18-9-7-17(16-24)8-10-18)23-25-20-12-11-19(29-6-3)15-21(20)30-23/h7-12,15H,4-6,13-14H2,1-3H3/p+1