N-ethanoyl-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(naphthalen-1-ylamino)propanamide

Systemtic Name: N-ethanoyl-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(naphthalen-1-ylamino)propanamide Openeye Name: N-acetyl-N-[(3-ethylsulfanyl-4,5-dihydroisoxazol-5-yl)methyl]-2-(1-naphthylamino)propanamide CAS Name: N-acetyl-N-[[3-(ethylthio)-4,5-dihydroisoxazol-5-yl]methyl]-2-(1-naphthalenylamino)propanamide IUPAC Name: N-acetyl-N-[(3-ethylsulfanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(naphthalen-1-ylamino)propanamide Traditional Name: N-acetyl-N-[[3-(ethylthio)-2-isoxazolin-5-yl]methyl]-2-(1-naphthylamino)propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NOC(C1)CN(C(=O)C)C(=O)C(C)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCSC1=NOC(C1)CN(C(=O)C)C(=O)C(C)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-4-28-20-12-17(27-23-20)13-24(15(3)25)21(26)14(2)22-19-11-7-9-16-8-5-6-10-18(16)19/h5-11,14,17,22H,4,12-13H2,1-3H3