2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-6,7-dimethoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-6,7-dimethoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6,7-dimethoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCCCCC3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCCCCC3)C#N)OC

InChI

InChI=1S/C20H23N3O3S/c1-25-17-10-14-9-15(12-21)20(22-16(14)11-18(17)26-2)27-13-19(24)23-7-5-3-4-6-8-23/h9-11H,3-8,13H2,1-2H3