4-(2-fluorophenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(2-fluorophenyl)-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Openeye Name: 4-(2-fluorophenyl)-N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide CAS Name: 4-(2-fluorophenyl)-N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-fluorophenyl)-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Traditional Name: 4-(2-fluorophenyl)-N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)piperazine-1-carboxamide Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=CC=C4F)SC5=CC=CC=C5C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C4=CC=CC=C4F)SC5=CC=CC=C5C1=O

InChI

InChI=1S/C25H23FN4O2S/c1-28-21-16-17(10-11-23(21)33-22-9-5-2-6-18(22)24(28)31)27-25(32)30-14-12-29(13-15-30)20-8-4-3-7-19(20)26/h2-11,16H,12-15H2,1H3,(H,27,32)