N-cyclopropyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]cinchoninamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4)C

InChI

InChI=1S/C23H25N3O2S/c1-4-26-14(2)11-18(15(26)3)21(27)13-29-22-12-19(23(28)24-16-9-10-16)17-7-5-6-8-20(17)25-22/h5-8,11-12,16H,4,9-10,13H2,1-3H3,(H,24,28)