N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,4-dimethoxyphenyl)-N-propyl-quinoline-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(3,4-dimethoxyphenyl)-N-propyl-quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propyl-quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxo-3-thiolanyl]-N-propyl-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylquinoline-4-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(3,4-dimethoxyphenyl)-N-propyl-cinchoninamide Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N2O5S/c1-4-12-27(18-11-13-33(29,30)16-18)25(28)20-15-22(26-21-8-6-5-7-19(20)21)17-9-10-23(31-2)24(14-17)32-3/h5-10,14-15,18H,4,11-13,16H2,1-3H3/t18-/m0/s1