S-[2-(4-methylphenyl)propan-2-yl] azepane-1-carbothioate

Systemtic Name: S-[2-(4-methylphenyl)propan-2-yl] azepane-1-carbothioate Openeye Name: S-[1-methyl-1-(p-tolyl)ethyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[2-(4-methylphenyl)propan-2-yl] ester IUPAC Name: S-[2-(4-methylphenyl)propan-2-yl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-[1-methyl-1-(p-tolyl)ethyl] ester Formula: C17H25NOS MolecularWeight: 291.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NOS/c1-14-8-10-15(11-9-14)17(2,3)20-16(19)18-12-6-4-5-7-13-18/h8-11H,4-7,12-13H2,1-3H3