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

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

Systemtic Name:3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
Openeye Name:3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CAS Name:3-nitro-N-[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]benzamide
IUPAC Name:3-nitro-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
Traditional Name:3-nitro-N-(2-propionamido-1,3-benzothiazol-6-yl)benzamide
Formula: C17H14N4O4S
MolecularWeight: 370.38246
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H14N4O4S/c1-2-15(22)20-17-19-13-7-6-11(9-14(13)26-17)18-16(23)10-4-3-5-12(8-10)21(24)25/h3-9H,2H2,1H3,(H,18,23)(H,19,20,22)


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