3-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)Br

InChI

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