2-(3-phenylprop-2-ynoylamino)-3-sulfanyl-propanamide

Systemtic Name: 2-(3-phenylprop-2-ynoylamino)-3-sulfanyl-propanamide Openeye Name: 2-(3-phenylprop-2-ynoylamino)-3-sulfanyl-propanamide CAS Name: 3-mercapto-2-[(1-oxo-3-phenylprop-2-ynyl)amino]propanamide IUPAC Name: 2-(3-phenylprop-2-ynoylamino)-3-sulfanylpropanamide Traditional Name: 3-mercapto-2-[(3-phenylpropioloyl)amino]propionamide Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC(=O)NC(CS)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC(=O)NC(CS)C(=O)N

InChI

InChI=1S/C12H12N2O2S/c13-12(16)10(8-17)14-11(15)7-6-9-4-2-1-3-5-9/h1-5,10,17H,8H2,(H2,13,16)(H,14,15)