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

Systemtic Name: 1-cyclohexyl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-cyclohexyl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-cyclohexyl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-cyclohexyl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-cyclohexyl-4-(2-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

Isomeric SMILES

CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCC4

InChI

InChI=1S/C21H27N3O3S/c1-2-12-27-16-11-7-6-10-15(16)19-18-20(22-17(25)13-28-19)24(23-21(18)26)14-8-4-3-5-9-14/h6-7,10-11,14,19H,2-5,8-9,12-13H2,1H3,(H,22,25)(H,23,26)