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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)urea Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O2S/c1-3-27-19-13-16(26-23(29)25-15-8-10-18(24)14(2)12-15)9-11-21(19)30-20-7-5-4-6-17(20)22(27)28/h4-13H,3H2,1-2H3,(H2,25,26,29)