5-bromanyl-2-methoxy-3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-9-4-5-12(21(23)24)8-14(9)19-17(26)20-16(22)13-7-11(18)6-10(2)15(13)25-3/h4-8H,1-3H3,(H2,19,20,22,26)