2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]cinchoninamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)N)C

InChI

InChI=1S/C20H21N3O2S/c1-4-23-12(2)9-15(13(23)3)18(24)11-26-19-10-16(20(21)25)14-7-5-6-8-17(14)22-19/h5-10H,4,11H2,1-3H3,(H2,21,25)