N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H18BrN5O4S MolecularWeight: 480.33562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Br

Isomeric SMILES

CC1=C(C=CC(=N1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)Br

InChI

InChI=1S/C18H18BrN5O4S/c1-11-14(19)3-5-16(20-11)21-18(29)22-17(25)13-10-12(24(26)27)2-4-15(13)23-6-8-28-9-7-23/h2-5,10H,6-9H2,1H3,(H2,20,21,22,25,29)