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

Systemtic Name: (3-imidazol-1-yl-1-oxidanylidene-1-phenyl-propan-2-yl) N,N-diethylcarbamodithioate Openeye Name: [1-(imidazol-1-ylmethyl)-2-oxo-2-phenyl-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic 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-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [1-(imidazol-1-ylmethyl)-2-keto-2-phenyl-ethyl] ester Formula: C17H21N3OS2 MolecularWeight: 347.49814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3OS2/c1-3-20(4-2)17(22)23-15(12-19-11-10-18-13-19)16(21)14-8-6-5-7-9-14/h5-11,13,15H,3-4,12H2,1-2H3