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

Systemtic Name: 1-(4-ethoxyphenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(4-ethoxyphenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(4-ethoxyphenyl)-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(4-ethoxyphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-p-phenetyl-urea Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-3-27-20-15-17(26-24(29)25-16-9-12-18(13-10-16)30-4-2)11-14-22(20)31-21-8-6-5-7-19(21)23(27)28/h5-15H,3-4H2,1-2H3,(H2,25,26,29)