N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C21H16N4O8S MolecularWeight: 484.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O8S/c1-31-16-5-6-17(32-2)19-18(16)22-21(34-19)23(11-15-4-3-7-33-15)20(26)12-8-13(24(27)28)10-14(9-12)25(29)30/h3-10H,11H2,1-2H3