N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(4-bromanyl-2,6-dimethyl-phenyl)carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(4-bromo-2,6-dimethyl-phenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(4-bromo-2,6-dimethylanilino)-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C)Br

InChI

InChI=1S/C17H16BrN3O4S/c1-10-7-12(18)8-11(2)16(10)20-17(26)19-15(22)9-25-14-5-3-13(4-6-14)21(23)24/h3-8H,9H2,1-2H3,(H2,19,20,22,26)