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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O3S/c1-11-7-8-14(13(18)9-11)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)