(E)-3-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidinoquinoxalin-2-yl)acrylamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)C=CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)/C=C/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H19N5OS/c28-19(11-12-20-23-17-9-3-4-10-18(17)29-20)26-21-22(27-13-5-6-14-27)25-16-8-2-1-7-15(16)24-21/h1-4,7-12H,5-6,13-14H2,(H,24,26,28)/b12-11+