2-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)ethanethioamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)ethanethioamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)thioacetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-(1-imidazolyl)propyl]ethanethioamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)ethanethioamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)thioacetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=S)NCCCN2C=CN=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=S)NCCCN2C=CN=C2)OC

InChI

InChI=1S/C16H21N3O2S/c1-20-14-5-4-13(10-15(14)21-2)11-16(22)18-6-3-8-19-9-7-17-12-19/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,18,22)