6-methyl-4-(4-methylphenyl)-1,4-thiazepane-2,5-dione

Systemtic Name: 6-methyl-4-(4-methylphenyl)-1,4-thiazepane-2,5-dione Openeye Name: 6-methyl-4-(p-tolyl)-1,4-thiazepane-2,5-dione CAS Name: 6-methyl-4-(4-methylphenyl)-1,4-thiazepane-2,5-dione IUPAC Name: 6-methyl-4-(4-methylphenyl)-1,4-thiazepane-2,5-dione Traditional Name: 6-methyl-4-(p-tolyl)-1,4-thiazepane-2,5-quinone Formula: C13H15NO2S MolecularWeight: 249.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CSC(=O)CN(C1=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1CSC(=O)CN(C1=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H15NO2S/c1-9-3-5-11(6-4-9)14-7-12(15)17-8-10(2)13(14)16/h3-6,10H,7-8H2,1-2H3