butyl 4-[[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[[5-[2,3-bis(chloranyl)phenyl]furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(2,3-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(2,3-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(2,3-dichlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C23H20Cl2N2O4S MolecularWeight: 491.3869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C23H20Cl2N2O4S/c1-2-3-13-30-22(29)14-7-9-15(10-8-14)26-23(32)27-21(28)19-12-11-18(31-19)16-5-4-6-17(24)20(16)25/h4-12H,2-3,13H2,1H3,(H2,26,27,28,32)