(phenylmethyl) N-(4,4-dimethyl-3-oxidanylidene-pentanoyl)carbamodithioate

Systemtic Name: (phenylmethyl) N-(4,4-dimethyl-3-oxidanylidene-pentanoyl)carbamodithioate Openeye Name: benzyl N-(4,4-dimethyl-3-oxo-pentanoyl)carbamodithioate CAS Name: N-(4,4-dimethyl-1,3-dioxopentyl)carbamodithioic acid (phenylmethyl) ester IUPAC Name: benzyl N-(4,4-dimethyl-3-oxopentanoyl)carbamodithioate Traditional Name: N-(3-keto-4,4-dimethyl-pentanoyl)carbamodithioic acid benzyl ester Formula: C15H19NO2S2 MolecularWeight: 309.44686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(=O)NC(=S)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)CC(=O)NC(=S)SCC1=CC=CC=C1

InChI

InChI=1S/C15H19NO2S2/c1-15(2,3)12(17)9-13(18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18,19)