2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propan-2-yl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propan-2-yl-quinoline-3-carbonitrile Openeye Name: 6-isopropyl-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-6-propan-2-yl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-propan-2-ylquinoline-3-carbonitrile Traditional Name: 6-isopropyl-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinoline-3-carbonitrile Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)C(C)C)C=C2C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)C(C)C)C=C2C#N

InChI

InChI=1S/C21H25N3OS/c1-14(2)16-4-5-19-17(10-16)11-18(12-22)21(23-19)26-13-20(25)24-8-6-15(3)7-9-24/h4-5,10-11,14-15H,6-9,13H2,1-3H3