N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C17H21Br2N3O3S MolecularWeight: 507.23994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br)Br

InChI

InChI=1S/C17H21Br2N3O3S/c1-10-7-12(18)8-13(19)15(10)25-9-14(23)21-22-17(26)20-16(24)11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,21,23)(H2,20,22,24,26)