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

Systemtic Name: 8-(chloromethyl)-3-fluoranyl-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Openeye Name: 8-(chloromethyl)-3-fluoro-12-(4-methylpiperazin-1-yl)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine CAS Name: 8-(chloromethyl)-3-fluoro-12-(4-methyl-1-piperazinyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine IUPAC Name: 8-(chloromethyl)-3-fluoro-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Traditional Name: 8-(chloromethyl)-3-fluoro-12-(4-methylpiperazino)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine Formula: C21H20ClFN4S MolecularWeight: 414.926703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN4S/c1-26-6-8-27(9-7-26)20-19-15-4-3-14(23)11-18(15)28-21(19)25-17-10-13(12-22)2-5-16(17)24-20/h2-5,10-11,25H,6-9,12H2,1H3