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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-morpholinophenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-[(2-morpholinophenyl)thiocarbamoyl]acrylamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3

InChI

InChI=1S/C21H22BrN3O3S/c1-27-19-8-7-16(22)14-15(19)6-9-20(26)24-21(29)23-17-4-2-3-5-18(17)25-10-12-28-13-11-25/h2-9,14H,10-13H2,1H3,(H2,23,24,26,29)/b9-6+