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

Systemtic Name: N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-4-fluoranyl-benzamide Openeye Name: N-(5-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-4-fluoro-benzamide CAS Name: N-(5-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-4-fluorobenzamide IUPAC Name: N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-4-fluorobenzamide Traditional Name: N-(5-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-4-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=C(C=C4)F)SC5=CC=CC=C5C2=O

Isomeric SMILES

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

InChI

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