1-(4-methoxyphenyl)-N-(4-methylphenyl)-2-sulfanyl-imidazo[2,1-a]isoquinolin-4-ium-3-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)-N-(4-methylphenyl)-2-sulfanyl-imidazo[2,1-a]isoquinolin-4-ium-3-carboxamide Openeye Name: 1-(4-methoxyphenyl)-N-(p-tolyl)-2-sulfanyl-imidazo[2,1-a]isoquinolin-4-ium-3-carboxamide CAS Name: 2-mercapto-1-(4-methoxyphenyl)-N-(4-methylphenyl)-3-imidazo[2,1-a]isoquinolin-4-iumcarboxamide IUPAC Name: 1-(4-methoxyphenyl)-N-(4-methylphenyl)-2-sulfanylimidazo[2,1-a]isoquinolin-4-ium-3-carboxamide Traditional Name: 2-mercapto-1-(4-methoxyphenyl)-N-(p-tolyl)imidaz[2,1-a]isoquinolin-4-ium-3-carboxamide Formula: C26H22N3O2S+ MolecularWeight: 440.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=[N+]2C=CC4=CC=CC=C43)C5=CC=C(C=C5)OC)S

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=[N+]2C=CC4=CC=CC=C43)C5=CC=C(C=C5)OC)S

InChI

InChI=1S/C26H21N3O2S/c1-17-7-9-19(10-8-17)27-24(30)23-26(32)29(20-11-13-21(31-2)14-12-20)25-22-6-4-3-5-18(22)15-16-28(23)25/h3-16H,1-2H3,(H-,27,30,32)/p+1