N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[(4S)-thiochroman-4-yl]acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[(4S)-thiochroman-4-yl]acetamide Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H20N2OS2/c1-14-12-21(23-17-8-4-2-6-15(14)17)26-13-20(24)22-18-10-11-25-19-9-5-3-7-16(18)19/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)/t18-/m0/s1