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

Systemtic Name: 1-butan-2-yl-4-(4-butoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-butoxyphenyl)-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-butan-2-yl-4-(4-butoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-butan-2-yl-4-(4-butoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-butoxyphenyl)-1-sec-butyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)CC

InChI

InChI=1S/C20H27N3O3S/c1-4-6-11-26-15-9-7-14(8-10-15)18-17-19(21-16(24)12-27-18)23(13(3)5-2)22-20(17)25/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,21,24)(H,22,25)