2-(phenylmethyl)azepane-1-carbothioate

Systemtic Name: 2-(phenylmethyl)azepane-1-carbothioate Openeye Name: 2-benzylazepane-1-carbothioate CAS Name: 2-(phenylmethyl)-1-azepanecarbothioate IUPAC Name: 2-benzylazepane-1-carbothioate Traditional Name: 2-benzylazepane-1-carbothioate Formula: C14H18NOS- MolecularWeight: 248.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=S)[O-])CC2=CC=CC=C2

Isomeric SMILES

C1CCC(N(CC1)C(=S)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C14H19NOS/c16-14(17)15-10-6-2-5-9-13(15)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,17)/p-1