N-[(hexanoylamino)carbamothioyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-2-(o-tolyl)acetamide CAS Name: 2-(2-methylphenyl)-N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]acetamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CC1=CC=CC=C1C

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CC1=CC=CC=C1C

InChI

InChI=1S/C16H23N3O2S/c1-3-4-5-10-14(20)18-19-16(22)17-15(21)11-13-9-7-6-8-12(13)2/h6-9H,3-5,10-11H2,1-2H3,(H,18,20)(H2,17,19,21,22)