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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-2-3-4-8-15-28-19-13-11-18(12-14-19)21(27)24-25-22(29)23-20(26)16-17-9-6-5-7-10-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,24,27)(H2,23,25,26,29)