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

Systemtic Name: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 4-(4-butoxyphenyl)-1-cycloheptyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCCCCC4

InChI

InChI=1S/C23H31N3O3S/c1-2-3-14-29-18-12-10-16(11-13-18)21-20-22(24-19(27)15-30-21)26(25-23(20)28)17-8-6-4-5-7-9-17/h10-13,17,21H,2-9,14-15H2,1H3,(H,24,27)(H,25,28)