S-(2-phenylpropan-2-yl) azepane-1-carbothioate

Systemtic Name: S-(2-phenylpropan-2-yl) azepane-1-carbothioate Openeye Name: S-(1-methyl-1-phenyl-ethyl) azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-(2-phenylpropan-2-yl) ester IUPAC Name: S-(2-phenylpropan-2-yl) azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-cumyl ester Formula: C16H23NOS MolecularWeight: 277.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NOS/c1-16(2,14-10-6-5-7-11-14)19-15(18)17-12-8-3-4-9-13-17/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3