5-[(4-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-fluorobenzyl)-11,11-diketo-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C30H25FN4O4S MolecularWeight: 556.607303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

InChI

InChI=1S/C30H25FN4O4S/c31-23-11-8-21(9-12-23)20-35-25-19-22(29(36)34-17-15-33(16-18-34)28-7-3-4-14-32-28)10-13-27(25)40(38,39)26-6-2-1-5-24(26)30(35)37/h1-14,19H,15-18,20H2