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

Systemtic Name: methyl 3-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[[5-(3-chloro-4-methylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[[5-(3-chloro-4-methyl-phenyl)-2-furoyl]thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C25H24ClN3O5S MolecularWeight: 513.99316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4)Cl

InChI

InChI=1S/C25H24ClN3O5S/c1-15-3-4-16(13-18(15)26)21-7-8-22(34-21)23(30)28-25(35)27-19-14-17(24(31)32-2)5-6-20(19)29-9-11-33-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H2,27,28,30,35)