N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3,5-bis(chloranyl)benzamide Openeye Name: 3,5-dichloro-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dichlorobenzamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3,5-dichlorobenzamide Traditional Name: 3,5-dichloro-N-[[[2-(4-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=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

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

InChI

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