4-methoxy-N-[(4-methylpyridin-2-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(4-methylpyridin-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(4-methyl-2-pyridyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(4-methylpyridin-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(4-methyl-2-pyridyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H14N4O4S MolecularWeight: 346.36106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-9-5-6-16-13(7-9)17-15(24)18-14(20)10-3-4-12(23-2)11(8-10)19(21)22/h3-8H,1-2H3,(H2,16,17,18,20,24)