3-(3-imidazol-1-ylphenyl)-N,2,2-trimethyl-3-oxidanylidene-propanethioamide

Systemtic Name: 3-(3-imidazol-1-ylphenyl)-N,2,2-trimethyl-3-oxidanylidene-propanethioamide Openeye Name: 3-(3-imidazol-1-ylphenyl)-N,2,2-trimethyl-3-oxo-propanethioamide CAS Name: 3-[3-(1-imidazolyl)phenyl]-N,2,2-trimethyl-3-oxopropanethioamide IUPAC Name: 3-(3-imidazol-1-ylphenyl)-N,2,2-trimethyl-3-oxopropanethioamide Traditional Name: 3-(3-imidazol-1-ylphenyl)-3-keto-N,2,2-trimethyl-thiopropionamide Formula: C15H17N3OS MolecularWeight: 287.37998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC(=CC=C1)N2C=CN=C2)C(=S)NC

Isomeric SMILES

CC(C)(C(=O)C1=CC(=CC=C1)N2C=CN=C2)C(=S)NC

InChI

InChI=1S/C15H17N3OS/c1-15(2,14(20)16-3)13(19)11-5-4-6-12(9-11)18-8-7-17-10-18/h4-10H,1-3H3,(H,16,20)