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

Systemtic Name: 3-azanyl-N'-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-N-phenyl-1,2-thiazol-2-ium-2-carboximidamide Openeye Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-N-phenyl-isothiazol-2-ium-2-carboxamidine CAS Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-N-phenyl-2-isothiazol-2-iumcarboximidamide IUPAC Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-N-phenyl-1,2-thiazol-2-ium-2-carboximidamide Traditional Name: 3-amino-N'-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-N-phenyl-isothiazol-2-ium-2-carboxamidine Formula: C23H29N4O2S+ MolecularWeight: 425.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-4-28-20-12-11-18(16-21(20)29-5-2)13-14-25-23(26-19-9-7-6-8-10-19)27-22(24)15-17(3)30-27/h6-12,15-16,24H,4-5,13-14H2,1-3H3,(H,25,26)/p+1