(E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-3-(2-thienyl)acrylamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C=CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)/C=C/C4=CC=CS4)C

InChI

InChI=1S/C22H19N3OS2/c1-15-7-9-19-21(16(15)2)24-22(28-19)25(14-17-5-3-11-23-13-17)20(26)10-8-18-6-4-12-27-18/h3-13H,14H2,1-2H3/b10-8+