S-(1-phenylethyl) azepane-1-carbothioate

Systemtic Name: S-(1-phenylethyl) azepane-1-carbothioate Openeye Name: S-(1-phenylethyl) azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-(1-phenylethyl) ester IUPAC Name: S-(1-phenylethyl) azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(1-phenylethyl) ester Formula: C15H21NOS MolecularWeight: 263.39834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC(=O)N2CCCCCC2

Isomeric SMILES

CC(C1=CC=CC=C1)SC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21NOS/c1-13(14-9-5-4-6-10-14)18-15(17)16-11-7-2-3-8-12-16/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3