N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(methylthio)-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide Traditional Name: N-homoveratryl-2-(methylthio)-3-phenyl-imidazole-4-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(N2C3=CC=CC=C3)SC)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-18-10-9-15(13-19(18)27-2)11-12-22-20(25)17-14-23-21(28-3)24(17)16-7-5-4-6-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)