4-morpholin-4-yl-3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-morpholino-3-nitro-N-(2-propionamido-1,3-benzothiazol-6-yl)benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-2-19(27)24-21-23-15-5-4-14(12-18(15)32-21)22-20(28)13-3-6-16(17(11-13)26(29)30)25-7-9-31-10-8-25/h3-6,11-12H,2,7-10H2,1H3,(H,22,28)(H,23,24,27)