(E)-2-cyano-3-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-1-(propan-2-ylamino)prop-1-enyl]sulfanyl-N-phenyl-3-(propan-2-ylamino)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[(E)-2-cyano-3-oxidanylidene-3-phenylazanyl-1-(propan-2-ylamino)prop-1-enyl]sulfanyl-N-phenyl-3-(propan-2-ylamino)prop-2-enamide Openeye Name: (E)-3-[(E)-3-anilino-2-cyano-1-(isopropylamino)-3-oxo-prop-1-enyl]sulfanyl-2-cyano-3-(isopropylamino)-N-phenyl-prop-2-enamide CAS Name: (E)-3-[[(E)-3-anilino-2-cyano-3-oxo-1-(propan-2-ylamino)prop-1-enyl]thio]-2-cyano-N-phenyl-3-(propan-2-ylamino)-2-propenamide IUPAC Name: (E)-3-[(E)-3-anilino-2-cyano-3-oxo-1-(propan-2-ylamino)prop-1-enyl]sulfanyl-2-cyano-N-phenyl-3-(propan-2-ylamino)prop-2-enamide Traditional Name: (E)-3-[[(E)-3-anilino-2-cyano-1-(isopropylamino)-3-keto-prop-1-enyl]thio]-2-cyano-3-(isopropylamino)-N-phenyl-acrylamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=C(C#N)C(=O)NC1=CC=CC=C1)SC(=C(C#N)C(=O)NC2=CC=CC=C2)NC(C)C

Isomeric SMILES

CC(N/C(=C(\C(=O)NC1=CC=CC=C1)/C#N)/S/C(=C(/C(=O)NC2=CC=CC=C2)\C#N)/NC(C)C)C

InChI

InChI=1S/C26H28N6O2S/c1-17(2)29-25(21(15-27)23(33)31-19-11-7-5-8-12-19)35-26(30-18(3)4)22(16-28)24(34)32-20-13-9-6-10-14-20/h5-14,17-18,29-30H,1-4H3,(H,31,33)(H,32,34)/b25-21+,26-22+