3-bromanyl-8-fluoranyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine

Systemtic Name: 3-bromanyl-8-fluoranyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Openeye Name: 3-bromo-8-fluoro-12-(4-methylpiperazin-1-yl)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine CAS Name: 3-bromo-8-fluoro-12-(4-methyl-1-piperazinyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine IUPAC Name: 3-bromo-8-fluoro-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Traditional Name: 3-bromo-8-fluoro-12-(4-methylpiperazino)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine Formula: C20H18BrFN4S MolecularWeight: 445.351123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)F)NC4=C2C5=C(S4)C=C(C=C5)Br

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)F)NC4=C2C5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C20H18BrFN4S/c1-25-6-8-26(9-7-25)19-18-14-4-2-12(21)10-17(14)27-20(18)24-16-11-13(22)3-5-15(16)23-19/h2-5,10-11,24H,6-9H2,1H3