3,5-dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3,5-dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3,5-dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 3,5-dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3,5-dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3,5-dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-2-5-27-13-3-4-15-14(9-13)18-17(28-15)19-16(22)10-6-11(20(23)24)8-12(7-10)21(25)26/h3-4,6-9H,2,5H2,1H3,(H,18,19,22)