N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]-3-methylsulfanyl-propanamide Openeye Name: 3-methylsulfanyl-N-[2-(o-tolyl)imidazo[2,1-a]isoquinolin-3-yl]propanamide CAS Name: N-[2-(2-methylphenyl)-3-imidazo[2,1-a]isoquinolinyl]-3-(methylthio)propanamide IUPAC Name: N-[2-(2-methylphenyl)imidazo[2,1-a]isoquinolin-3-yl]-3-methylsulfanylpropanamide Traditional Name: 3-(methylthio)-N-[2-(o-tolyl)imidaz[2,1-a]isoquinolin-3-yl]propionamide Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N3C=CC4=CC=CC=C4C3=N2)NC(=O)CCSC

Isomeric SMILES

CC1=CC=CC=C1C2=C(N3C=CC4=CC=CC=C4C3=N2)NC(=O)CCSC

InChI

InChI=1S/C22H21N3OS/c1-15-7-3-5-9-17(15)20-22(23-19(26)12-14-27-2)25-13-11-16-8-4-6-10-18(16)21(25)24-20/h3-11,13H,12,14H2,1-2H3,(H,23,26)