2-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide

Systemtic Name: 2-[2-[[3-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylquinoline-4-carboxamide Openeye Name: 2-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl]sulfanylquinoline-4-carboxamide CAS Name: 2-[[2-[3-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl]thio]-4-quinolinecarboxamide IUPAC Name: 2-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]sulfanylquinoline-4-carboxamide Traditional Name: 2-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl]thio]cinchoninamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)N

InChI

InChI=1S/C22H20N4O3S/c23-21(28)17-11-20(26-18-7-2-1-6-16(17)18)30-12-19(27)24-15-5-3-4-13(10-15)22(29)25-14-8-9-14/h1-7,10-11,14H,8-9,12H2,(H2,23,28)(H,24,27)(H,25,29)