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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-nitro-benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-nitro-benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-nitrobenzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-nitrobenzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-nitro-benzamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c1-28-16-8-9-17(29-2)19-18(16)22-21(31-19)23(12-15-7-4-10-30-15)20(25)13-5-3-6-14(11-13)24(26)27/h3-11H,12H2,1-2H3