N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)thiophene-2-carboxamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)thiophene-2-carboxamide Openeye Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-N-(phenylmethyl)-2-thiophenecarboxamide IUPAC Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitrothiophene-2-carboxamide Traditional Name: N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-nitro-thiophene-2-carboxamide Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S2/c1-28-14-8-9-15(29-2)19-18(14)22-21(31-19)23(12-13-6-4-3-5-7-13)20(25)16-10-11-17(30-16)24(26)27/h3-11H,12H2,1-2H3