N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C)Br

InChI

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