(E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenyl-2-propenamide IUPAC Name: (E)-N-(2-dimethylaminoethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide Traditional Name: (E)-N-(2-dimethylaminoethyl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-phenyl-acrylamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S2/c1-23(2)14-15-24(19(25)13-12-16-8-5-4-6-9-16)21-22-20-17(28-21)10-7-11-18(20)29(3,26)27/h4-13H,14-15H2,1-3H3/b13-12+