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

Systemtic Name: 1-cycloheptyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cycloheptyl-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cycloheptyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cycloheptyl-4-(4-methylphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cycloheptyl-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4

InChI

InChI=1S/C20H25N3O2S/c1-13-8-10-14(11-9-13)18-17-19(21-16(24)12-26-18)23(22-20(17)25)15-6-4-2-3-5-7-15/h8-11,15,18H,2-7,12H2,1H3,(H,21,24)(H,22,25)