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

Systemtic Name: S-[(3-chloranyl-4-propoxy-phenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(3-chloro-4-propoxy-phenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(3-chloro-4-propoxyphenyl)methyl] ester IUPAC Name: S-[(3-chloro-4-propoxyphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(3-chloro-4-propoxy-benzyl) ester Formula: C17H24ClNO2S MolecularWeight: 341.89596

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC(=O)N2CCCCCC2)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C17H24ClNO2S/c1-2-11-21-16-8-7-14(12-15(16)18)13-22-17(20)19-9-5-3-4-6-10-19/h7-8,12H,2-6,9-11,13H2,1H3