2-(4-chlorophenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]acetamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-2-3-4-5-14-29-19-12-8-17(9-13-19)21(28)25-26-22(30)24-20(27)15-16-6-10-18(23)11-7-16/h6-13H,2-5,14-15H2,1H3,(H,25,28)(H2,24,26,27,30)