N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-4-5-6-7-8-9-18(24)21-20(27)23-22-19(25)14-26-17-12-10-16(11-13-17)15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,22,25)(H2,21,23,24,27)