[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-azanium Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-ethyl-ammonium CAS Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylammonium IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-ethylazanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-ethyl-[2-keto-2-(piazthiol-4-ylamino)ethyl]ammonium Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OCC)OC)CC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C20H24N4O3S/c1-4-24(12-14-9-10-17(27-5-2)18(11-14)26-3)13-19(25)21-15-7-6-8-16-20(15)23-28-22-16/h6-11H,4-5,12-13H2,1-3H3,(H,21,25)/p+1