S-[[3,5-bis(chloranyl)-4-methoxy-phenyl]methyl] azepane-1-carbothioate

Systemtic Name: S-[[3,5-bis(chloranyl)-4-methoxy-phenyl]methyl] azepane-1-carbothioate Openeye Name: S-[(3,5-dichloro-4-methoxy-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(3,5-dichloro-4-methoxyphenyl)methyl] ester IUPAC Name: S-[(3,5-dichloro-4-methoxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(3,5-dichloro-4-methoxy-benzyl) ester Formula: C15H19Cl2NO2S MolecularWeight: 348.28786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)CSC(=O)N2CCCCCC2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)CSC(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C15H19Cl2NO2S/c1-20-14-12(16)8-11(9-13(14)17)10-21-15(19)18-6-4-2-3-5-7-18/h8-9H,2-7,10H2,1H3