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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-N-[[4-(morpholinomethyl)phenyl]carbamothioyl]prop-2-enamide CAS Name: 3-(5-bromo-2-methoxyphenyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]acrylamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3S/c1-28-20-8-5-18(23)14-17(20)4-9-21(27)25-22(30)24-19-6-2-16(3-7-19)15-26-10-12-29-13-11-26/h2-9,14H,10-13,15H2,1H3,(H2,24,25,27,30)