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

Systemtic Name: 2-(4-bromanyl-3-methyl-phenoxy)-N-[(2-phenoxyethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-3-methyl-phenoxy)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-3-methylphenoxy)-N-[[(1-oxo-2-phenoxyethyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-3-methylphenoxy)-N-[[(2-phenoxyacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-3-methyl-phenoxy)-N-[[(2-phenoxyacetyl)amino]thiocarbamoyl]acetamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2)Br

InChI

InChI=1S/C18H18BrN3O4S/c1-12-9-14(7-8-15(12)19)26-10-16(23)20-18(27)22-21-17(24)11-25-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,27)