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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-(3-thienyl)quinoline-4-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-(3-thienyl)cinchoninamide Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C20H19N3O2S/c24-19(23-17-7-3-4-9-21-20(17)25)15-11-18(13-8-10-26-12-13)22-16-6-2-1-5-14(15)16/h1-2,5-6,8,10-12,17H,3-4,7,9H2,(H,21,25)(H,23,24)/t17-/m0/s1