1,3-benzothiazol-2-ylmethyl-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2-(2-ethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]-methyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H26N4O2S/c1-4-16-9-5-6-10-17(16)23-20(27)13-26(3)22(28)15-25(2)14-21-24-18-11-7-8-12-19(18)29-21/h5-12H,4,13-15H2,1-3H3,(H,23,27)/p+1