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

Systemtic Name: 1-propan-2-yl-4-(4-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-isopropyl-4-(4-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-propan-2-yl-4-(4-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-propan-2-yl-4-(4-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-isopropyl-4-(4-propoxyphenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2C3=C(NC(=O)CS2)N(NC3=O)C(C)C

InChI

InChI=1S/C18H23N3O3S/c1-4-9-24-13-7-5-12(6-8-13)16-15-17(19-14(22)10-25-16)21(11(2)3)20-18(15)23/h5-8,11,16H,4,9-10H2,1-3H3,(H,19,22)(H,20,23)