2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7,8-dimethyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7,8-dimethyl-quinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7,8-dimethyl-quinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7,8-dimethyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7,8-dimethylquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7,8-dimethyl-quinoline-3-carbonitrile Formula: C20H23N3OS MolecularWeight: 353.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCCCC3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCCCCC3)C#N)C

InChI

InChI=1S/C20H23N3OS/c1-14-7-8-16-11-17(12-21)20(22-19(16)15(14)2)25-13-18(24)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,13H2,1-2H3