2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 2-(methylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 2-methylsulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 2-(methylthio)-N-(6-nitro-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N(CC2=CC=CC=N2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S2/c1-29-18-8-3-2-7-16(18)20(26)24(13-14-6-4-5-11-22-14)21-23-17-10-9-15(25(27)28)12-19(17)30-21/h2-12H,13H2,1H3