2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioate

Systemtic Name: 2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioate Openeye Name: 2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioate CAS Name: 2-[(4-ethoxyphenyl)methyl]-1-azepanecarbothioate IUPAC Name: 2-[(4-ethoxyphenyl)methyl]azepane-1-carbothioate Traditional Name: 2-(4-ethoxybenzyl)azepane-1-carbothioate Formula: C16H22NO2S- MolecularWeight: 292.41638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2CCCCCN2C(=S)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2CCCCCN2C(=S)[O-]

InChI

InChI=1S/C16H23NO2S/c1-2-19-15-9-7-13(8-10-15)12-14-6-4-3-5-11-17(14)16(18)20/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)/p-1