N-(1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(pyridin-2-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyridylmethyl)benzothiophene-2-carboxamide Formula: C22H14N4O3S2 MolecularWeight: 446.50156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O3S2/c27-21(20-12-14-11-16(26(28)29)8-9-18(14)30-20)25(13-15-5-3-4-10-23-15)22-24-17-6-1-2-7-19(17)31-22/h1-12H,13H2