N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-2-(2-thienyl)cinchoninamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CC(=O)N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)CC(=O)N

InChI

InChI=1S/C21H22N4O2S/c22-20(26)13-25-9-7-14(8-10-25)23-21(27)16-12-18(19-6-3-11-28-19)24-17-5-2-1-4-15(16)17/h1-6,11-12,14H,7-10,13H2,(H2,22,26)(H,23,27)