S-[(4-methoxy-3-methyl-phenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(4-methoxy-3-methyl-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-methoxy-3-methyl-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-methoxy-3-methylphenyl)methyl] ester IUPAC Name: S-[(4-methoxy-3-methylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-methoxy-3-methyl-benzyl) ester Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC(=O)N2CCCCCC2)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CSC(=O)N2CCCCCC2)OC

InChI

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