N-(3,4-dimethylphenyl)-3-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3,4-dimethylphenyl)-3-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(3,4-dimethylphenyl)-3-(2-quinolylsulfanyl)propanamide CAS Name: N-(3,4-dimethylphenyl)-3-(2-quinolinylthio)propanamide IUPAC Name: N-(3,4-dimethylphenyl)-3-quinolin-2-ylsulfanylpropanamide Traditional Name: N-(3,4-dimethylphenyl)-3-(2-quinolylthio)propionamide Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H20N2OS/c1-14-7-9-17(13-15(14)2)21-19(23)11-12-24-20-10-8-16-5-3-4-6-18(16)22-20/h3-10,13H,11-12H2,1-2H3,(H,21,23)