1-(4-fluorophenyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea

Systemtic Name: 1-(4-fluorophenyl)-3-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(4-fluorophenyl)-3-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(4-fluorophenyl)-3-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(4-fluorophenyl)-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(4-fluorophenyl)-3-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C21H16FN3O2S MolecularWeight: 393.434043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H16FN3O2S/c1-25-17-12-15(24-21(27)23-14-8-6-13(22)7-9-14)10-11-19(17)28-18-5-3-2-4-16(18)20(25)26/h2-12H,1H3,(H2,23,24,27)