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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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