N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C23H24N6O5S2 MolecularWeight: 528.60386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6O5S2/c1-2-3-20(30)26-23-25-17-6-4-14(12-19(17)36-23)24-22(35)27-21(31)16-13-15(29(32)33)5-7-18(16)28-8-10-34-11-9-28/h4-7,12-13H,2-3,8-11H2,1H3,(H,25,26,30)(H2,24,27,31,35)