(E)-3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dibromo-2-methoxy-phenyl)-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dibromo-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dibromo-2-methoxy-phenyl)-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H23Br2N3O3S MolecularWeight: 569.30932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=CC(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3)Br)Br

InChI

InChI=1S/C22H23Br2N3O3S/c1-29-21-16(12-17(23)13-19(21)24)4-7-20(28)26-22(31)25-18-5-2-15(3-6-18)14-27-8-10-30-11-9-27/h2-7,12-13H,8-11,14H2,1H3,(H2,25,26,28,31)/b7-4+