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

Systemtic Name: 4-(4-phenylmethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-benzyloxyphenyl)-1-isopropyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-phenylmethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-phenylmethoxyphenyl)-1-propan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-benzoxyphenyl)-1-isopropyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N1

Isomeric SMILES

CC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N1

InChI

InChI=1S/C22H23N3O3S/c1-14(2)25-21-19(22(27)24-25)20(29-13-18(26)23-21)16-8-10-17(11-9-16)28-12-15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,23,26)(H,24,27)