3,6-dimethyl-N-(2-oxidanylidenethiolan-3-yl)-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 3,6-dimethyl-N-(2-oxidanylidenethiolan-3-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 3,6-dimethyl-N-(2-oxotetrahydrothiophen-3-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 3,6-dimethyl-N-(2-oxo-3-thiolanyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3,6-dimethyl-N-(2-oxothiolan-3-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-ketotetrahydrothiophen-3-yl)-3,6-dimethyl-2-phenyl-cinchoninamide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)NC4CCSC4=O

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)C)C(=O)NC4CCSC4=O

InChI

InChI=1S/C22H20N2O2S/c1-13-8-9-17-16(12-13)19(21(25)24-18-10-11-27-22(18)26)14(2)20(23-17)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3,(H,24,25)