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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)C(C)C)C=C2C#N

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(C=C(C=C3)C(C)C)C=C2C#N

InChI

InChI=1S/C21H25N3OS/c1-14(2)16-6-7-19-17(9-16)10-18(11-22)21(23-19)26-13-20(25)24-8-4-5-15(3)12-24/h6-7,9-10,14-15H,4-5,8,12-13H2,1-3H3/t15-/m0/s1