3-quinolin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 3-quinolin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 3-(2-quinolylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 3-(2-quinolinylthio)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 3-quinolin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: N-mesityl-3-(2-quinolylthio)propionamide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-14-12-15(2)21(16(3)13-14)23-19(24)10-11-25-20-9-8-17-6-4-5-7-18(17)22-20/h4-9,12-13H,10-11H2,1-3H3,(H,23,24)