N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide Openeye Name: 3,5-dichloro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dichlorobenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3,5-dichlorobenzamide Traditional Name: 3,5-dichloro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21Cl2N3O3S MolecularWeight: 454.37004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O3S/c1-3-12(2)16-6-4-5-7-17(16)28-11-18(26)24-25-20(29)23-19(27)13-8-14(21)10-15(22)9-13/h4-10,12H,3,11H2,1-2H3,(H,24,26)(H2,23,25,27,29)