1-cyclohexyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 1-cyclohexyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclohexyl-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclohexyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclohexyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclohexyl-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

InChI

InChI=1S/C19H23N3O2S/c1-12-7-9-13(10-8-12)17-16-18(20-15(23)11-25-17)22(21-19(16)24)14-5-3-2-4-6-14/h7-10,14,17H,2-6,11H2,1H3,(H,20,23)(H,21,24)