4-(4-methylphenyl)-5-phenyl-1,4-thiazepine-3,7-dione

Systemtic Name: 4-(4-methylphenyl)-5-phenyl-1,4-thiazepine-3,7-dione Openeye Name: 5-phenyl-4-(p-tolyl)-1,4-thiazepine-3,7-dione CAS Name: 4-(4-methylphenyl)-5-phenyl-1,4-thiazepine-3,7-dione IUPAC Name: 4-(4-methylphenyl)-5-phenyl-1,4-thiazepine-3,7-dione Traditional Name: 5-phenyl-4-(p-tolyl)-1,4-thiazepine-3,7-quinone Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)CSC(=O)C=C2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)CSC(=O)C=C2C3=CC=CC=C3

InChI

InChI=1S/C18H15NO2S/c1-13-7-9-15(10-8-13)19-16(14-5-3-2-4-6-14)11-18(21)22-12-17(19)20/h2-11H,12H2,1H3