N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(2-thienyl)cinchoninamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c27-22-11-2-1-5-13-26(22)14-7-12-24-23(28)18-16-20(21-10-6-15-29-21)25-19-9-4-3-8-17(18)19/h3-4,6,8-10,15-16H,1-2,5,7,11-14H2,(H,24,28)