(4R,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

Systemtic Name: (4R,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Openeye Name: (4R,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide CAS Name: (4R,4aS)-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-N-(2-pyridinyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide IUPAC Name: (4R,4aS)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Traditional Name: (4R,4aS)-5-keto-2-methyl-4-[4-(methylthio)phenyl]-N-(2-pyridyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CC1=C([C@H]([C@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C23H23N3O2S/c1-14-20(23(28)26-19-8-3-4-13-24-19)21(15-9-11-16(29-2)12-10-15)22-17(25-14)6-5-7-18(22)27/h3-4,8-13,21-22H,5-7H2,1-2H3,(H,24,26,28)/t21-,22+/m1/s1