ethyl 4-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-(3,4-dimethylphenyl)furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-(3,4-dimethylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-(3,4-dimethylphenyl)-2-furoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-4-28-22(27)16-7-9-18(10-8-16)24-23(30)25-21(26)20-12-11-19(29-20)17-6-5-14(2)15(3)13-17/h5-13H,4H2,1-3H3,(H2,24,25,26,30)