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

Systemtic Name: 2-[(4-cyanophenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-cyanobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-cyanophenyl)-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-cyanobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-cyanobenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H23N4O2S+ MolecularWeight: 395.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N4O2S/c1-4-27-17-9-10-18-19(13-17)28-21(23-18)25(12-11-24(2)3)20(26)16-7-5-15(14-22)6-8-16/h5-10,13H,4,11-12H2,1-3H3/p+1