S-[(4-chlorophenyl)methyl] azepane-1-carbothioate

Systemtic Name: S-[(4-chlorophenyl)methyl] azepane-1-carbothioate Openeye Name: S-[(4-chlorophenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-chlorophenyl)methyl] ester IUPAC Name: S-[(4-chlorophenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-chlorobenzyl) ester Formula: C14H18ClNOS MolecularWeight: 283.81682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNOS/c15-13-7-5-12(6-8-13)11-18-14(17)16-9-3-1-2-4-10-16/h5-8H,1-4,9-11H2