N-benzo[e][1,3]benzothiazol-2-yl-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-morpholino-3-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-morpholino-3-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4S/c27-21(15-5-7-17(18(13-15)26(28)29)25-9-11-30-12-10-25)24-22-23-20-16-4-2-1-3-14(16)6-8-19(20)31-22/h1-8,13H,9-12H2,(H,23,24,27)