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

Systemtic Name: 8-bromanyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Openeye Name: 8-bromo-12-(4-methylpiperazin-1-yl)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine CAS Name: 8-bromo-12-(4-methyl-1-piperazinyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine IUPAC Name: 8-bromo-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Traditional Name: 8-bromo-12-(4-methylpiperazino)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine Formula: C20H19BrN4S MolecularWeight: 427.36066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Br)NC4=C2C5=CC=CC=C5S4

Isomeric SMILES

CN1CCN(CC1)C2=NC3=C(C=C(C=C3)Br)NC4=C2C5=CC=CC=C5S4

InChI

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