2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl]thio]-N-cyclopropyl-cinchoninamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5)C

InChI

InChI=1S/C26H23N5O2S/c1-30-21-9-5-6-10-22(21)31(2)26(30)19(14-27)23(32)15-34-24-13-18(25(33)28-16-11-12-16)17-7-3-4-8-20(17)29-24/h3-10,13,16H,11-12,15H2,1-2H3,(H,28,33)