N-(3,4-dimethoxyphenyl)-2-[4-(imidazol-1-ylmethyl)phenyl]ethanethioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(imidazol-1-ylmethyl)phenyl]ethanethioamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(imidazol-1-ylmethyl)phenyl]thioacetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(1-imidazolylmethyl)phenyl]ethanethioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(imidazol-1-ylmethyl)phenyl]ethanethioamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-(imidazol-1-ylmethyl)phenyl]thioacetamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)CC2=CC=C(C=C2)CN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)CC2=CC=C(C=C2)CN3C=CN=C3)OC

InChI

InChI=1S/C20H21N3O2S/c1-24-18-8-7-17(12-19(18)25-2)22-20(26)11-15-3-5-16(6-4-15)13-23-10-9-21-14-23/h3-10,12,14H,11,13H2,1-2H3,(H,22,26)