2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6-ethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6-ethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-ethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6-ethoxy-quinoline-3-carbonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O2S/c1-2-25-17-7-8-18-15(12-17)11-16(13-21)20(22-18)26-14-19(24)23-9-5-3-4-6-10-23/h7-8,11-12H,2-6,9-10,14H2,1H3