3-[[ethanoyl(methyl)amino]methyl]-N-[(1S)-1-phenylbutyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: 3-[[ethanoyl(methyl)amino]methyl]-N-[(1S)-1-phenylbutyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: 3-[[acetyl(methyl)amino]methyl]-N-[(1S)-1-phenylbutyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: 3-[[acetyl(methyl)amino]methyl]-N-[(1S)-1-phenylbutyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: 3-[[acetyl(methyl)amino]methyl]-N-[(1S)-1-phenylbutyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: 3-[[acetyl(methyl)amino]methyl]-N-[(1S)-1-phenylbutyl]-2-(2-thienyl)cinchoninamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN(C)C(=O)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN(C)C(=O)C

InChI

InChI=1S/C28H29N3O2S/c1-4-11-23(20-12-6-5-7-13-20)30-28(33)26-21-14-8-9-15-24(21)29-27(25-16-10-17-34-25)22(26)18-31(3)19(2)32/h5-10,12-17,23H,4,11,18H2,1-3H3,(H,30,33)/t23-/m0/s1