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

Systemtic Name: 1-(2,6-dimethylphenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(2,6-dimethylphenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(2,6-dimethylphenyl)-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(2,6-dimethylphenyl)-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC=C3C)C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=C(C=CC=C3C)C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H23N3O2S/c1-4-27-19-14-17(25-24(29)26-22-15(2)8-7-9-16(22)3)12-13-21(19)30-20-11-6-5-10-18(20)23(27)28/h5-14H,4H2,1-3H3,(H2,25,26,29)