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

Systemtic Name: S-[(3-bromanyl-4-methoxy-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(3-bromo-4-methoxy-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(3-bromo-4-methoxyphenyl)methyl] ester IUPAC Name: S-[(3-bromo-4-methoxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(3-bromo-4-methoxy-benzyl) ester Formula: C15H20BrNO2S MolecularWeight: 358.2938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO2S/c1-19-14-7-6-12(10-13(14)16)11-20-15(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3