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

Systemtic Name: 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-isopropoxyphenyl)-1-isopropyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-propan-2-yl-4-(4-propan-2-yloxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-isopropoxyphenyl)-1-isopropyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-10(2)21-17-15(18(23)20-21)16(25-9-14(22)19-17)12-5-7-13(8-6-12)24-11(3)4/h5-8,10-11,16H,9H2,1-4H3,(H,19,22)(H,20,23)