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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC

InChI

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