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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)SC(=O)N2CCCCCC2

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)SC(=O)N2CCCCCC2

InChI

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