N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C22H17N5O5S/c1-13-7-14(2)20-19(8-13)33-22(24-20)25(12-16-5-3-4-6-23-16)21(28)15-9-17(26(29)30)11-18(10-15)27(31)32/h3-11H,12H2,1-2H3