[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C18H24N2O2S2 MolecularWeight: 364.52536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C18H24N2O2S2/c1-13(2)11-17(22)19-15-7-5-14(6-8-15)16(21)12-24-18(23)20-9-3-4-10-20/h5-8,13H,3-4,9-12H2,1-2H3,(H,19,22)