N-(3,4-dimethoxyphenyl)-4-imidazol-1-yl-butanethioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-imidazol-1-yl-butanethioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-imidazol-1-yl-butanethioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(1-imidazolyl)butanethioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-imidazol-1-ylbutanethioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-imidazol-1-yl-thiobutyramide Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)CCCN2C=CN=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)CCCN2C=CN=C2)OC

InChI

InChI=1S/C15H19N3O2S/c1-19-13-6-5-12(10-14(13)20-2)17-15(21)4-3-8-18-9-7-16-11-18/h5-7,9-11H,3-4,8H2,1-2H3,(H,17,21)