N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2CCCCC2)Br

InChI

InChI=1S/C17H22BrN3O3S/c1-11-9-13(7-8-14(11)18)24-10-15(22)20-21-17(25)19-16(23)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,20,22)(H2,19,21,23,25)