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

Systemtic Name: S-[(4-methoxyphenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-methoxyphenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-methoxyphenyl)methyl] ester IUPAC Name: S-[(4-methoxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-p-anisyl ester Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NO2S/c1-18-14-8-6-13(7-9-14)12-19-15(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3