[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C18H26N2O2S2 MolecularWeight: 366.54124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=CC=C(C=C1)NC(=O)CC(C)C

InChI

InChI=1S/C18H26N2O2S2/c1-5-20(6-2)18(23)24-12-16(21)14-7-9-15(10-8-14)19-17(22)11-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,22)