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

Systemtic Name: 4-(4-methylphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-(1-methylbutyl)-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 4-(4-methylphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 4-(4-methylphenyl)-1-pentan-2-yl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-(1-methylbutyl)-4-(p-tolyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C)C(=O)N1

Isomeric SMILES

CCCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C)C(=O)N1

InChI

InChI=1S/C18H23N3O2S/c1-4-5-12(3)21-17-15(18(23)20-21)16(24-10-14(22)19-17)13-8-6-11(2)7-9-13/h6-9,12,16H,4-5,10H2,1-3H3,(H,19,22)(H,20,23)