(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(6-morpholino-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(6-morpholino-1,3-benzothiazol-2-yl)acrylamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H20BrN3O3S/c1-27-18-6-3-15(22)12-14(18)2-7-20(26)24-21-23-17-5-4-16(13-19(17)29-21)25-8-10-28-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)/b7-2+