N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-morpholino-5-nitro-benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H22N4O4S/c30-24(20-15-19(29(31)32)9-10-22(20)28-11-13-33-14-12-28)26-16-17-5-7-18(8-6-17)25-27-21-3-1-2-4-23(21)34-25/h1-10,15H,11-14,16H2,(H,26,30)