2-methyl-3-nitro-N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[(phenylmethyl)-pyridin-2-yl-carbamothioyl]benzamide Openeye Name: N-[benzyl(2-pyridyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-3-nitro-N-[[(phenylmethyl)-(2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[benzyl(pyridin-2-yl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[benzyl(2-pyridyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C21H18N4O3S/c1-15-17(10-7-11-18(15)25(27)28)20(26)23-21(29)24(19-12-5-6-13-22-19)14-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,23,26,29)