N-phenethyl-2-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-phenethyl-2-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-phenethyl-2-(2-quinolylsulfanyl)propanamide CAS Name: N-phenethyl-2-(2-quinolinylthio)propanamide IUPAC Name: N-phenethyl-2-quinolin-2-ylsulfanylpropanamide Traditional Name: N-phenethyl-2-(2-quinolylthio)propionamide Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N2OS/c1-15(20(23)21-14-13-16-7-3-2-4-8-16)24-19-12-11-17-9-5-6-10-18(17)22-19/h2-12,15H,13-14H2,1H3,(H,21,23)