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

Systemtic Name: 8-fluoranyl-3-methoxy-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Openeye Name: 8-fluoro-3-methoxy-12-(4-methylpiperazin-1-yl)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine CAS Name: 8-fluoro-3-methoxy-12-(4-methyl-1-piperazinyl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine IUPAC Name: 8-fluoro-3-methoxy-12-(4-methylpiperazin-1-yl)-6H-[1]benzothiolo[2,3-b][1,5]benzodiazepine Traditional Name: 8-fluoro-3-methoxy-12-(4-methylpiperazino)-6H-benzothiopheno[2,3-b][1,5]benzodiazepine Formula: C21H21FN4OS MolecularWeight: 396.481043

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4OS/c1-25-7-9-26(10-8-25)20-19-15-5-4-14(27-2)12-18(15)28-21(19)24-17-11-13(22)3-6-16(17)23-20/h3-6,11-12,24H,7-10H2,1-2H3