N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-(1,3-thiazolidin-3-ylmethyl)quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-(1,3-thiazolidin-3-ylmethyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-(thiazolidin-3-ylmethyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-(3-thiazolidinylmethyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-(1,3-thiazolidin-3-ylmethyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-(thiazolidin-3-ylmethyl)cinchoninamide Formula: C28H33N3OS MolecularWeight: 459.64612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCSC5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCSC5

InChI

InChI=1S/C28H33N3OS/c1-20(21-10-4-2-5-11-21)29-28(32)26-23-14-8-9-15-25(23)30-27(22-12-6-3-7-13-22)24(26)18-31-16-17-33-19-31/h3,6-9,12-15,20-21H,2,4-5,10-11,16-19H2,1H3,(H,29,32)/t20-/m0/s1