[2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl] N,N-diethylcarbamodithioate

Systemtic Name: [2-oxidanylidene-1-(phenylcarbonyl)azepan-3-yl] N,N-diethylcarbamodithioate Openeye Name: (1-benzoyl-2-oxo-azepan-3-yl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (1-benzoyl-2-oxo-3-azepanyl) ester IUPAC Name: (1-benzoyl-2-oxoazepan-3-yl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (1-benzoyl-2-keto-azepan-3-yl) ester Formula: C18H24N2O2S2 MolecularWeight: 364.52536

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1CCCCN(C1=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=S)SC1CCCCN(C1=O)C(=O)C2=CC=CC=C2

InChI

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