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

Systemtic Name: 1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-3-(2-methyl-3-nitro-phenyl)urea Openeye Name: 1-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-3-(2-methyl-3-nitro-phenyl)urea CAS Name: 1-(5-ethyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)-3-(2-methyl-3-nitrophenyl)urea IUPAC Name: 1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-3-(2-methyl-3-nitrophenyl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-2-yl)-3-(2-methyl-3-nitro-phenyl)urea Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H20N4O4S/c1-3-26-19-12-11-15(13-21(19)32-20-10-5-4-7-16(20)22(26)28)24-23(29)25-17-8-6-9-18(14(17)2)27(30)31/h4-13H,3H2,1-2H3,(H2,24,25,29)