ethyl 4-[(4-oxidanylidene-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-oxo-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1,4-dioxo-4-phenethyloxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-4-phenethyloxybutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-phenethyloxy-butanoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O5S/c1-2-28-21(27)17-8-10-18(11-9-17)23-22(30)24-19(25)12-13-20(26)29-15-14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H2,23,24,25,30)