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

Systemtic Name: S-[(3-chloranyl-4-ethoxy-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(3-chloro-4-ethoxy-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(3-chloro-4-ethoxyphenyl)methyl] ester IUPAC Name: S-[(3-chloro-4-ethoxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(3-chloro-4-ethoxy-benzyl) ester Formula: C16H22ClNO2S MolecularWeight: 327.86938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO2S/c1-2-20-15-8-7-13(11-14(15)17)12-21-16(19)18-9-5-3-4-6-10-18/h7-8,11H,2-6,9-10,12H2,1H3