N-(1,3-benzothiazol-2-yl)-N-ethyl-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-morpholino-5-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-2-morpholino-5-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C20H20N4O4S/c1-2-23(20-21-16-5-3-4-6-18(16)29-20)19(25)15-13-14(24(26)27)7-8-17(15)22-9-11-28-12-10-22/h3-8,13H,2,9-12H2,1H3