N-[(2-ethoxypyridin-3-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(2-ethoxy-3-pyridinyl)methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(2-ethoxypyridin-3-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[(2-ethoxy-3-pyridyl)methyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC=N1)CNC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S2/c1-3-27-18-14(5-4-8-20-18)10-21-17(24)13-6-7-16(15(9-13)23(25)26)29-19-22-12(2)11-28-19/h4-9,11H,3,10H2,1-2H3,(H,21,24)