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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridinylmethyl)benzamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitro-N-(2-pyridylmethyl)benzamide Formula: C21H15N5O5S MolecularWeight: 449.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=N3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O5S/c1-13-5-6-18-19(8-13)32-21(23-18)24(12-15-4-2-3-7-22-15)20(27)14-9-16(25(28)29)11-17(10-14)26(30)31/h2-11H,12H2,1H3