1-octan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione

Systemtic Name: 1-octan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Openeye Name: 1-(1-methylheptyl)-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione CAS Name: 1-octan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione IUPAC Name: 1-octan-2-yl-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione Traditional Name: 1-(1-methylheptyl)-4-phenyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S/c1-3-4-5-7-10-14(2)23-19-17(20(25)22-23)18(26-13-16(24)21-19)15-11-8-6-9-12-15/h6,8-9,11-12,14,18H,3-5,7,10,13H2,1-2H3,(H,21,24)(H,22,25)