S-(3-chloranylpropyl) 3,6-dimethylazepane-1-carbothioate

Systemtic Name: S-(3-chloranylpropyl) 3,6-dimethylazepane-1-carbothioate Openeye Name: S-(3-chloropropyl) 3,6-dimethylazepane-1-carbothioate CAS Name: 3,6-dimethyl-1-azepanecarbothioic acid S-(3-chloropropyl) ester IUPAC Name: S-(3-chloropropyl) 3,6-dimethylazepane-1-carbothioate Traditional Name: 3,6-dimethylazepane-1-carbothioic acid S-(3-chloropropyl) ester Formula: C12H22ClNOS MolecularWeight: 263.82718

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CN(C1)C(=O)SCCCCl)C

Isomeric SMILES

CC1CCC(CN(C1)C(=O)SCCCCl)C

InChI

InChI=1S/C12H22ClNOS/c1-10-4-5-11(2)9-14(8-10)12(15)16-7-3-6-13/h10-11H,3-9H2,1-2H3