(E)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(2-diethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(2-thienyl)acrylamide Formula: C21H25N3O3S3 MolecularWeight: 463.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H25N3O3S3/c1-4-23(5-2)12-13-24(20(25)11-8-16-7-6-14-28-16)21-22-18-10-9-17(30(3,26)27)15-19(18)29-21/h6-11,14-15H,4-5,12-13H2,1-3H3/b11-8+