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

Systemtic Name: 4-(4-butoxyphenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-butoxyphenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-butoxyphenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-butoxyphenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-butoxyphenyl)-1-cyclohexyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

InChI

InChI=1S/C22H29N3O3S/c1-2-3-13-28-17-11-9-15(10-12-17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)16-7-5-4-6-8-16/h9-12,16,20H,2-8,13-14H2,1H3,(H,23,26)(H,24,27)