6-ethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6-ethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-ethyl-2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-ethyl-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-ethyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 6-ethyl-2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]quinoline-3-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCC(C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCC[C@H](C3)C

InChI

InChI=1S/C20H23N3OS/c1-3-15-6-7-18-16(9-15)10-17(11-21)20(22-18)25-13-19(24)23-8-4-5-14(2)12-23/h6-7,9-10,14H,3-5,8,12-13H2,1-2H3/t14-/m1/s1