N-[(hexanoylamino)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-3-phenyl-propionamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C16H23N3O2S/c1-2-3-5-10-15(21)18-19-16(22)17-14(20)12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3,(H,18,21)(H2,17,19,20,22)