N-cyclopropyl-2-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[(1-ethyl-4-piperidyl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[(1-ethyl-4-piperidinyl)amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[(1-ethylpiperidin-4-yl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-[(1-ethyl-4-piperidyl)amino]-2-keto-ethyl]thio]cinchoninamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CCN1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C22H28N4O2S/c1-2-26-11-9-16(10-12-26)23-20(27)14-29-21-13-18(22(28)24-15-7-8-15)17-5-3-4-6-19(17)25-21/h3-6,13,15-16H,2,7-12,14H2,1H3,(H,23,27)(H,24,28)