8,9-bis(chloranyl)-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine

Systemtic Name: 8,9-bis(chloranyl)-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Openeye Name: 8,9-dichloro-12-(4-methylpiperazin-1-yl)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine CAS Name: 8,9-dichloro-12-(4-methyl-1-piperazinyl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine IUPAC Name: 8,9-dichloro-12-(4-methylpiperazin-1-yl)-11H-[1]benzothiolo[3,2-c][1,5]benzodiazepine Traditional Name: 8,9-dichloro-12-(4-methylpiperazino)-11H-benzothiopheno[3,2-c][1,5]benzodiazepine Formula: C20H18Cl2N4S MolecularWeight: 417.35472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C4=CC=CC=C4SC3=NC5=CC(=C(C=C5N2)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C3C4=CC=CC=C4SC3=NC5=CC(=C(C=C5N2)Cl)Cl

InChI

InChI=1S/C20H18Cl2N4S/c1-25-6-8-26(9-7-25)19-18-12-4-2-3-5-17(12)27-20(18)24-16-11-14(22)13(21)10-15(16)23-19/h2-5,10-11,23H,6-9H2,1H3