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

Systemtic Name: N-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: 3-phenyl-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: N-[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: 3-phenyl-N-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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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=C2

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-3-16(2)18-10-12-19(13-11-18)28-15-21(27)24-25-22(29)23-20(26)14-9-17-7-5-4-6-8-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3,(H,24,27)(H2,23,25,26,29)