2-(4-bromanyl-2-methyl-phenoxy)-N-[(3-nitrophenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[(3-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[(3-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[(3-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[(3-nitrophenyl)thiocarbamoyl]acetamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O4S/c1-10-7-11(17)5-6-14(10)24-9-15(21)19-16(25)18-12-3-2-4-13(8-12)20(22)23/h2-8H,9H2,1H3,(H2,18,19,21,25)