N-[(hexanoylamino)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)OCCC2=CC=CC=C2

InChI

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