1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-[4-(thiolan-2-ylcarbonyl)piperazin-1-yl]quinoline-3-carbonitrile

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-[4-(thiolan-2-ylcarbonyl)piperazin-1-yl]quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(tetrahydrothiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(2-thiolanyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiolane-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(tetrahydrothiophene-2-carbonyl)piperazino]quinoline-3-carbonitrile Formula: C26H25FN4O2S MolecularWeight: 476.565703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(SC1)C(=O)N2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1CC(SC1)C(=O)N2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C26H25FN4O2S/c27-19-9-7-18(8-10-19)17-31-22-5-2-1-4-20(22)24(21(16-28)25(31)32)29-11-13-30(14-12-29)26(33)23-6-3-15-34-23/h1-2,4-5,7-10,23H,3,6,11-15,17H2