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

Systemtic Name: S-[(4-ethoxyphenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-ethoxyphenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-ethoxyphenyl)methyl] ester IUPAC Name: S-[(4-ethoxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-ethoxybenzyl) ester Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

InChI

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