N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(1H-indol-3-yl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(1H-indol-3-yl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(1H-indol-3-yl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NC(=CS3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H19N5O4S/c28-21(16-11-14(27(29)30)5-6-20(16)26-7-9-31-10-8-26)25-22-24-19(13-32-22)17-12-23-18-4-2-1-3-15(17)18/h1-6,11-13,23H,7-10H2,(H,24,25,28)