4-ethoxy-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-ethoxy-N-(6-morpholino-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: 4-ethoxy-N-[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-ethoxy-N-(6-morpholino-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-2-29-17-6-3-13(11-16(17)24(26)27)19(25)22-20-21-15-5-4-14(12-18(15)30-20)23-7-9-28-10-8-23/h3-6,11-12H,2,7-10H2,1H3,(H,21,22,25)