N-(6-butoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(6-butoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C18H16N4O6S MolecularWeight: 416.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S/c1-2-3-6-28-14-4-5-15-16(10-14)29-18(19-15)20-17(23)11-7-12(21(24)25)9-13(8-11)22(26)27/h4-5,7-10H,2-3,6H2,1H3,(H,19,20,23)