methyl 3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C24H22BrN3O5S MolecularWeight: 544.41758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O5S/c1-31-23(30)16-4-7-19(28-10-12-32-13-11-28)18(14-16)26-24(34)27-22(29)21-9-8-20(33-21)15-2-5-17(25)6-3-15/h2-9,14H,10-13H2,1H3,(H2,26,27,29,34)