N-(3,4-dimethoxyphenyl)-5-imidazol-1-yl-pentanethioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-5-imidazol-1-yl-pentanethioamide Openeye Name: N-(3,4-dimethoxyphenyl)-5-imidazol-1-yl-pentanethioamide CAS Name: N-(3,4-dimethoxyphenyl)-5-(1-imidazolyl)pentanethioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanethioamide Traditional Name: N-(3,4-dimethoxyphenyl)-5-imidazol-1-yl-thiovaleramide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)CCCCN2C=CN=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)CCCCN2C=CN=C2)OC

InChI

InChI=1S/C16H21N3O2S/c1-20-14-7-6-13(11-15(14)21-2)18-16(22)5-3-4-9-19-10-8-17-12-19/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,22)