N-cyclopropyl-2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-cyclopropyl-2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-quinoline-4-carboxamide Openeye Name: N-cyclopropyl-2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]sulfanyl-quinoline-4-carboxamide CAS Name: N-cyclopropyl-2-[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: N-cyclopropyl-2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: N-cyclopropyl-2-[[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]thio]cinchoninamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C21H20N4O3S/c1-25-10-4-7-17(25)21(28)24-18(26)12-29-19-11-15(20(27)22-13-8-9-13)14-5-2-3-6-16(14)23-19/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,27)(H,24,26,28)