N-[(2-phenylethanoylamino)carbamothioyl]butanamide

Systemtic Name: N-[(2-phenylethanoylamino)carbamothioyl]butanamide Openeye Name: N-[[(2-phenylacetyl)amino]carbamothioyl]butanamide CAS Name: N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[(2-phenylacetyl)amino]carbamothioyl]butanamide Traditional Name: N-[[(2-phenylacetyl)amino]thiocarbamoyl]butyramide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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