1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-3-(3-fluoranyl-4-methyl-phenyl)urea

Systemtic Name: 1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-3-(3-fluoranyl-4-methyl-phenyl)urea Openeye Name: 1-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-(5-ethyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)-3-(3-fluoro-4-methylphenyl)urea IUPAC Name: 1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-2-yl)-3-(3-fluoro-4-methyl-phenyl)urea Formula: C23H20FN3O2S MolecularWeight: 421.487203

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)F)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C)F)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H20FN3O2S/c1-3-27-19-11-10-16(26-23(29)25-15-9-8-14(2)18(24)12-15)13-21(19)30-20-7-5-4-6-17(20)22(27)28/h4-13H,3H2,1-2H3,(H2,25,26,29)