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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

InChI

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