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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC

InChI

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