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

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide CAS Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide Formula: C22H17N5O7S MolecularWeight: 495.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N(CC3=CC=CC=N3)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=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O7S/c1-33-17-6-7-18(34-2)20-19(17)24-22(35-20)25(12-14-5-3-4-8-23-14)21(28)13-9-15(26(29)30)11-16(10-13)27(31)32/h3-11H,12H2,1-2H3