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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4

Isomeric SMILES

CCCOC1=CC=CC=C1C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4

InChI

InChI=1S/C22H29N3O3S/c1-2-13-28-17-12-8-7-11-16(17)20-19-21(23-18(26)14-29-20)25(24-22(19)27)15-9-5-3-4-6-10-15/h7-8,11-12,15,20H,2-6,9-10,13-14H2,1H3,(H,23,26)(H,24,27)