N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-3-15(2)16-8-11-18(12-9-16)29-14-21(28)25-26-22(30)24-20(27)13-10-17-6-4-5-7-19(17)23/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H,25,28)(H2,24,26,27,30)