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

Systemtic Name: 5-bromanyl-2-methoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O4S/c1-9-12(4-3-5-13(9)20(22)23)18-16(25)19-15(21)11-8-10(17)6-7-14(11)24-2/h3-8H,1-2H3,(H2,18,19,21,25)