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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-4-morpholino-3-nitro-benzamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5S/c1-2-3-20(28)25-22-24-16-6-5-15(13-19(16)33-22)23-21(29)14-4-7-17(18(12-14)27(30)31)26-8-10-32-11-9-26/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,29)(H,24,25,28)