3-azanyl-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide

Systemtic Name: 3-azanyl-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-N-(4-methoxyphenyl)-5-methyl-isothiazol-2-ium-2-carboxamidine Formula: C24H31N4O3S+ MolecularWeight: 455.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN=C(NC2=CC=C(C=C2)OC)[N+]3=C(C=C(S3)C)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN=C(NC2=CC=C(C=C2)OC)[N+]3=C(C=C(S3)C)N)OCC

InChI

InChI=1S/C24H30N4O3S/c1-5-30-21-12-7-18(16-22(21)31-6-2)13-14-26-24(28-23(25)15-17(3)32-28)27-19-8-10-20(29-4)11-9-19/h7-12,15-16,25H,5-6,13-14H2,1-4H3,(H,26,27)/p+1