2-(2-bromanyl-4-methyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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