N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C20H30BrN3O3S MolecularWeight: 472.4395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)C)Br

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C(C)C)Br

InChI

InChI=1S/C20H30BrN3O3S/c1-4-5-6-7-8-9-18(25)22-20(28)24-23-19(26)13-27-17-11-10-15(14(2)3)12-16(17)21/h10-12,14H,4-9,13H2,1-3H3,(H,23,26)(H2,22,24,25,28)