5-bromanyl-2-methoxy-3-methyl-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[(4-nitrophenyl)amino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(4-nitroanilino)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C16H15BrN4O4S MolecularWeight: 439.2837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NNC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15BrN4O4S/c1-9-7-10(17)8-13(14(9)25-2)15(22)18-16(26)20-19-11-3-5-12(6-4-11)21(23)24/h3-8,19H,1-2H3,(H2,18,20,22,26)