3-fluoranyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine

Systemtic Name: 3-fluoranyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Openeye Name: 3-fluoro-12-(4-methylpiperazin-1-yl)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine CAS Name: 3-fluoro-12-(4-methyl-1-piperazinyl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine IUPAC Name: 3-fluoro-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Traditional Name: 3-fluoro-12-(4-methylpiperazino)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine Formula: C20H19FN4S MolecularWeight: 366.455063

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C4=C(C=C(C=C4)F)SC3=NC5=CC=CC=C5N2

Isomeric SMILES

CN1CCN(CC1)C2=C3C4=C(C=C(C=C4)F)SC3=NC5=CC=CC=C5N2

InChI

InChI=1S/C20H19FN4S/c1-24-8-10-25(11-9-24)19-18-14-7-6-13(21)12-17(14)26-20(18)23-16-5-3-2-4-15(16)22-19/h2-7,12,22H,8-11H2,1H3