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

Systemtic Name: 1-pentan-3-yl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-benzyloxyphenyl)-1-(1-ethylpropyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-pentan-3-yl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-pentan-3-yl-4-(4-phenylmethoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-benzoxyphenyl)-1-(1-ethylpropyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-3-18(4-2)27-23-21(24(29)26-27)22(31-15-20(28)25-23)17-10-12-19(13-11-17)30-14-16-8-6-5-7-9-16/h5-13,18,22H,3-4,14-15H2,1-2H3,(H,25,28)(H,26,29)