N-[(butanoylamino)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(butanoylamino)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(butanoylamino)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(butanoylamino)carbamothioyl]-2-phenylacetamide Traditional Name: N-(butyramidothiocarbamoyl)-2-phenyl-acetamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NNC(=S)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCC(=O)NNC(=S)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H17N3O2S/c1-2-6-11(17)15-16-13(19)14-12(18)9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,15,17)(H2,14,16,18,19)