N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-2-fluoranyl-benzamide

Systemtic Name: N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-2-fluoranyl-benzamide Openeye Name: N-(5-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-2-fluoro-benzamide CAS Name: N-(5-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-2-fluorobenzamide IUPAC Name: N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-2-fluorobenzamide Traditional Name: N-(5-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-2-fluoro-benzamide Formula: C25H21FN2O2S MolecularWeight: 432.509843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4F)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1CCC(C1)N2C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4F)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C25H21FN2O2S/c26-20-11-5-3-9-18(20)24(29)27-16-13-14-23-21(15-16)28(17-7-1-2-8-17)25(30)19-10-4-6-12-22(19)31-23/h3-6,9-15,17H,1-2,7-8H2,(H,27,29)