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

Systemtic Name: 9-bromanyl-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Openeye Name: 9-bromo-12-(4-methylpiperazin-1-yl)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine CAS Name: 9-bromo-12-(4-methyl-1-piperazinyl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine IUPAC Name: 9-bromo-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Traditional Name: 9-bromo-12-(4-methylpiperazino)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine Formula: C20H19BrN4S MolecularWeight: 427.36066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C4=CC=CC=C4SC3=NC5=C(N2)C=C(C=C5)Br

Isomeric SMILES

CN1CCN(CC1)C2=C3C4=CC=CC=C4SC3=NC5=C(N2)C=C(C=C5)Br

InChI

InChI=1S/C20H19BrN4S/c1-24-8-10-25(11-9-24)19-18-14-4-2-3-5-17(14)26-20(18)23-15-7-6-13(21)12-16(15)22-19/h2-7,12,22H,8-11H2,1H3