N-benzo[e][1,3]benzothiazol-2-yl-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-morpholino-5-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-morpholino-5-nitro-benzamide Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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