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

Systemtic Name: S-[(4-ethoxy-3-methyl-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-ethoxy-3-methyl-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-ethoxy-3-methylphenyl)methyl] ester IUPAC Name: S-[(4-ethoxy-3-methylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-ethoxy-3-methyl-benzyl) ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC(=O)N2CCCCCC2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC(=O)N2CCCCCC2)C

InChI

InChI=1S/C17H25NO2S/c1-3-20-16-9-8-15(12-14(16)2)13-21-17(19)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11,13H2,1-2H3