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

Systemtic Name: S-[(4-methylphenyl)methyl] azepane-1-carbothioate Openeye Name: S-(p-tolylmethyl) azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(4-methylphenyl)methyl] ester IUPAC Name: S-[(4-methylphenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(4-methylbenzyl) ester Formula: C15H21NOS MolecularWeight: 263.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CSC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NOS/c1-13-6-8-14(9-7-13)12-18-15(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3