(3-imidazol-1-yl-1-oxidanylidene-1-phenyl-propan-2-yl) N,N-dimethylcarbamodithioate

Systemtic Name: (3-imidazol-1-yl-1-oxidanylidene-1-phenyl-propan-2-yl) N,N-dimethylcarbamodithioate Openeye Name: [1-(imidazol-1-ylmethyl)-2-oxo-2-phenyl-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [3-(1-imidazolyl)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: (3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl) N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [1-(imidazol-1-ylmethyl)-2-keto-2-phenyl-ethyl] ester Formula: C15H17N3OS2 MolecularWeight: 319.44498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=S)SC(CN1C=CN=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CN(C)C(=S)SC(CN1C=CN=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H17N3OS2/c1-17(2)15(20)21-13(10-18-9-8-16-11-18)14(19)12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3