N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]octanamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=CC=C1C(C)CC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)COC1=CC=CC=C1C(C)CC

InChI

InChI=1S/C21H33N3O3S/c1-4-6-7-8-9-14-19(25)22-21(28)24-23-20(26)15-27-18-13-11-10-12-17(18)16(3)5-2/h10-13,16H,4-9,14-15H2,1-3H3,(H,23,26)(H2,22,24,25,28)