[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C16H22N2OS2 MolecularWeight: 322.48868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C16H22N2OS2/c1-3-17(4-2)16(20)21-12-15(19)18-10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3