3-[(phenylmethyl)-(propanoylcarbamothioyl)amino]propanamide

Systemtic Name: 3-[(phenylmethyl)-(propanoylcarbamothioyl)amino]propanamide Openeye Name: 3-[benzyl(propanoylcarbamothioyl)amino]propanamide CAS Name: 3-[[(1-oxopropylamino)-sulfanylidenemethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl(propanoylcarbamothioyl)amino]propanamide Traditional Name: 3-[benzyl(propionylthiocarbamoyl)amino]propionamide Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

Isomeric SMILES

CCC(=O)NC(=S)N(CCC(=O)N)CC1=CC=CC=C1

InChI

InChI=1S/C14H19N3O2S/c1-2-13(19)16-14(20)17(9-8-12(15)18)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,18)(H,16,19,20)