2-hexoxy-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-hexoxy-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[(p-toluoylamino)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H27N3O3S/c1-3-4-5-8-15-28-19-10-7-6-9-18(19)21(27)23-22(29)25-24-20(26)17-13-11-16(2)12-14-17/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,24,26)(H2,23,25,27,29)