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

Systemtic Name: 4-(4-bromophenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-bromophenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-bromophenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-bromophenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-bromophenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

C1CCCC(CC1)N2C3=C(C(SCC(=O)N3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C19H22BrN3O2S/c20-13-9-7-12(8-10-13)17-16-18(21-15(24)11-26-17)23(22-19(16)25)14-5-3-1-2-4-6-14/h7-10,14,17H,1-6,11H2,(H,21,24)(H,22,25)