4-azanyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxamide; methyl sulfate

Systemtic Name: 4-azanyl-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxamide; methyl sulfate Openeye Name: 4-amino-N-[(E)-(4-methoxyphenyl)methyleneamino]-2-methylsulfanyl-3-phenyl-thiazol-3-ium-5-carboxamide; methyl sulfate CAS Name: 4-amino-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(methylthio)-3-phenyl-5-thiazol-3-iumcarboxamide; methyl sulfate IUPAC Name: 4-amino-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium-5-carboxamide; methyl sulfate Traditional Name: 4-amino-2-(methylthio)-N-[(E)-p-anisylideneamino]-3-phenyl-thiazol-3-ium-5-carboxamide; methyl sulfate Formula: C20H22N4O6S3 MolecularWeight: 510.60688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=NNC(=O)C2=C([N+](=C(S2)SC)C3=CC=CC=C3)N.COS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=N/NC(=O)C2=C([N+](=C(S2)SC)C3=CC=CC=C3)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H18N4O2S2.CH4O4S/c1-25-15-10-8-13(9-11-15)12-21-22-18(24)16-17(20)23(19(26-2)27-16)14-6-4-3-5-7-14;1-5-6(2,3)4/h3-12H,1-2H3,(H2-,20,22,24);1H3,(H,2,3,4)/b21-12+;