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

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C17H16BrN3O5S MolecularWeight: 454.29504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O5S/c1-10-7-12(4-5-13(10)18)26-9-16(22)20-17(27)19-14-8-11(21(23)24)3-6-15(14)25-2/h3-8H,9H2,1-2H3,(H2,19,20,22,27)