N,N-diethyl-3-(2-phenylquinolin-4-yl)sulfanyl-propanamide hydrochloride

Systemtic Name: N,N-diethyl-3-(2-phenylquinolin-4-yl)sulfanyl-propanamide hydrochloride Openeye Name: N,N-diethyl-3-[(2-phenyl-4-quinolyl)sulfanyl]propanamide hydrochloride CAS Name: N,N-diethyl-3-[(2-phenyl-4-quinolinyl)thio]propanamide hydrochloride IUPAC Name: N,N-diethyl-3-(2-phenylquinolin-4-yl)sulfanylpropanamide hydrochloride Traditional Name: N,N-diethyl-3-[(2-phenyl-4-quinolyl)thio]propionamide hydrochloride Formula: C22H25ClN2OS MolecularWeight: 400.9647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCSC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(CC)C(=O)CCSC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H24N2OS.ClH/c1-3-24(4-2)22(25)14-15-26-21-16-20(17-10-6-5-7-11-17)23-19-13-9-8-12-18(19)21;/h5-13,16H,3-4,14-15H2,1-2H3;1H