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

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]hexanamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]hexanamide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)COC1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)COC1=CC(=C(C=C1)Br)C

InChI

InChI=1S/C16H22BrN3O3S/c1-3-4-5-6-14(21)18-16(24)20-19-15(22)10-23-12-7-8-13(17)11(2)9-12/h7-9H,3-6,10H2,1-2H3,(H,19,22)(H2,18,20,21,24)