N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-(2-furylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-(2-furanylmethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-(2-furfuryl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3,5-dinitro-benzamide Formula: C20H14N4O6S2 MolecularWeight: 470.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O6S2/c1-31-16-4-5-17-18(10-16)32-20(21-17)22(11-15-3-2-6-30-15)19(25)12-7-13(23(26)27)9-14(8-12)24(28)29/h2-10H,11H2,1H3