3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(3-ethynylphenyl)propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-(3-ethynylphenyl)propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-(3-ethynylphenyl)propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-(3-ethynylphenyl)propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethynylphenyl)propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-(3-ethynylphenyl)propionamide Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCSCC(=O)N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H14N2O2S/c1-2-10-4-3-5-11(8-10)15-13(17)6-7-18-9-12(14)16/h1,3-5,8H,6-7,9H2,(H2,14,16)(H,15,17)