(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide

Systemtic Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide Openeye Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-3-[1-(2-cyanoethyl)-3-indolyl]-N-(2-methyl-1,3-benzothiazol-6-yl)-2-propenamide IUPAC Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)acrylamide Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H18N4OS/c1-15-24-19-9-8-17(13-21(19)28-15)25-22(27)10-7-16-14-26(12-4-11-23)20-6-3-2-5-18(16)20/h2-3,5-10,13-14H,4,12H2,1H3,(H,25,27)/b10-7+