5-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C26H24FN3O3S MolecularWeight: 477.550463

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)S(=O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)S(=O)C5=CC=CC=C5C1=O

InChI

InChI=1S/C26H24FN3O3S/c1-2-30-22-17-18(7-12-24(22)34(33)23-6-4-3-5-21(23)26(30)32)25(31)29-15-13-28(14-16-29)20-10-8-19(27)9-11-20/h3-12,17H,2,13-16H2,1H3