N-[[3,5-bis(bromanyl)-4-pent-4-enoxy-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3,5-bis(bromanyl)-4-pent-4-enoxy-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3,5-dibromo-4-pent-4-enoxy-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[(3,5-dibromo-4-pent-4-enoxyanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3,5-dibromo-4-pent-4-enoxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3,5-dibromo-4-pent-4-enoxy-phenyl)thiocarbamoyl]coumarilamide Formula: C21H18Br2N2O3S MolecularWeight: 538.25222

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCOC1=C(C=C(C=C1Br)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)Br

Isomeric SMILES

C=CCCCOC1=C(C=C(C=C1Br)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)Br

InChI

InChI=1S/C21H18Br2N2O3S/c1-2-3-6-9-27-19-15(22)11-14(12-16(19)23)24-21(29)25-20(26)18-10-13-7-4-5-8-17(13)28-18/h2,4-5,7-8,10-12H,1,3,6,9H2,(H2,24,25,26,29)