N-[(4-methylpyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(4-methylpyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-methyl-2-pyridyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-methylpyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-methyl-2-pyridyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H19N5O4S/c1-12-4-5-19-16(10-12)20-18(28)21-17(24)14-11-13(23(25)26)2-3-15(14)22-6-8-27-9-7-22/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,24,28)