[2-[(4-methylphenyl)methyl]-3-oxidanylidene-butyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(4-methylphenyl)methyl]-3-oxidanylidene-butyl] N,N-diethylcarbamodithioate Openeye Name: [3-oxo-2-(p-tolylmethyl)butyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[(4-methylphenyl)methyl]-3-oxobutyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl]-3-oxobutyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [3-keto-2-(4-methylbenzyl)butyl] ester Formula: C17H25NOS2 MolecularWeight: 323.5165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(CC1=CC=C(C=C1)C)C(=O)C

Isomeric SMILES

CCN(CC)C(=S)SCC(CC1=CC=C(C=C1)C)C(=O)C

InChI

InChI=1S/C17H25NOS2/c1-5-18(6-2)17(20)21-12-16(14(4)19)11-15-9-7-13(3)8-10-15/h7-10,16H,5-6,11-12H2,1-4H3