2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-1-methyl-2-oxo-propyl]sulfanyl-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]thio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-1-methyl-propyl]thio]-N-cyclopropyl-cinchoninamide Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=NC4=CC=CC=C4C(=C3)C(=O)NC5CC5

InChI

InChI=1S/C25H20N4O2S2/c1-14(23(30)18(13-26)25-29-20-8-4-5-9-21(20)33-25)32-22-12-17(24(31)27-15-10-11-15)16-6-2-3-7-19(16)28-22/h2-9,12,14-15,29H,10-11H2,1H3,(H,27,31)/b25-18+