[1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] N,N-diethylcarbamodithioate

Systemtic Name: [1-(4-fluorophenyl)carbonyl-2-oxidanylidene-azepan-3-yl] N,N-diethylcarbamodithioate Openeye Name: [1-(4-fluorobenzoyl)-2-oxo-azepan-3-yl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-[(4-fluorophenyl)-oxomethyl]-2-oxo-3-azepanyl] ester IUPAC Name: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [1-(4-fluorobenzoyl)-2-keto-azepan-3-yl] ester Formula: C18H23FN2O2S2 MolecularWeight: 382.515823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O2S2/c1-3-20(4-2)18(24)25-15-7-5-6-12-21(17(15)23)16(22)13-8-10-14(19)11-9-13/h8-11,15H,3-7,12H2,1-2H3