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

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-4-methyl-3-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-3-4-17(24)22-19-21-14-8-7-13(10-16(14)28-19)20-18(25)12-6-5-11(2)15(9-12)23(26)27/h5-10H,3-4H2,1-2H3,(H,20,25)(H,21,22,24)