4-phenyl-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 4-phenyl-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-isopropyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-phenyl-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-phenyl-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-isopropyl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C15H17N3O2S/c1-9(2)18-14-12(15(20)17-18)13(21-8-11(19)16-14)10-6-4-3-5-7-10/h3-7,9,13H,8H2,1-2H3,(H,16,19)(H,17,20)