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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-cyanophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-cyanobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-cyanophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-cyanobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-cyanobenzoyl)amino]ethyl-diethyl-ammonium Formula: C21H23N4OS+ MolecularWeight: 379.49852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS/c1-3-24(4-2)13-14-25(20(26)17-11-9-16(15-22)10-12-17)21-23-18-7-5-6-8-19(18)27-21/h5-12H,3-4,13-14H2,1-2H3/p+1