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

Systemtic Name: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-bromophenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O2S/c19-12-8-6-11(7-9-12)16-15-17(20-14(23)10-25-16)22(21-18(15)24)13-4-2-1-3-5-13/h6-9,13,16H,1-5,10H2,(H,20,23)(H,21,24)