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

Systemtic Name: methyl 3-[[5-(3,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[[5-(3,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[5-(3,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C24H21Cl2N3O5S MolecularWeight: 534.41164

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H21Cl2N3O5S/c1-32-23(31)15-3-5-19(29-8-10-33-11-9-29)18(13-15)27-24(35)28-22(30)21-7-6-20(34-21)14-2-4-16(25)17(26)12-14/h2-7,12-13H,8-11H2,1H3,(H2,27,28,30,35)