3-[ethanoylcarbamothioyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[ethanoylcarbamothioyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[acetylcarbamothioyl(benzyl)amino]propanamide CAS Name: 3-[[acetamido(sulfanylidene)methyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[acetylcarbamothioyl(benzyl)amino]propanamide Traditional Name: 3-[acetylthiocarbamoyl(benzyl)amino]propionamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-10(17)15-13(19)16(8-7-12(14)18)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,14,18)(H,15,17,19)