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

Systemtic Name: (4R)-1-cyclohexyl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: (4R)-1-cyclohexyl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: (4R)-1-cyclohexyl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: (4R)-1-cyclohexyl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: (4R)-1-cyclohexyl-4-(2,4-dichlorophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H19Cl2N3O2S MolecularWeight: 412.33336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C(SCC(=O)N3)C4=C(C=C(C=C4)Cl)Cl)C(=O)N2

Isomeric SMILES

C1CCC(CC1)N2C3=C([C@@H](SCC(=O)N3)C4=C(C=C(C=C4)Cl)Cl)C(=O)N2

InChI

InChI=1S/C18H19Cl2N3O2S/c19-10-6-7-12(13(20)8-10)16-15-17(21-14(24)9-26-16)23(22-18(15)25)11-4-2-1-3-5-11/h6-8,11,16H,1-5,9H2,(H,21,24)(H,22,25)/t16-/m0/s1