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

Systemtic Name: 1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-3-(4-nitrophenyl)urea Openeye Name: 1-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1-(5-ethyl-6-oxo-2-benzo[b][1,4]benzothiazepinyl)-3-(4-nitrophenyl)urea IUPAC Name: 1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-2-yl)-3-(4-nitrophenyl)urea Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4S/c1-2-25-18-12-9-15(13-20(18)31-19-6-4-3-5-17(19)21(25)27)24-22(28)23-14-7-10-16(11-8-14)26(29)30/h3-13H,2H2,1H3,(H2,23,24,28)