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

Systemtic Name: methyl 4-[(4-oxidanylidene-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-oxo-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1,4-dioxo-4-phenethyloxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-4-phenethyloxybutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-phenethyloxy-butanoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-27-20(26)16-7-9-17(10-8-16)22-21(29)23-18(24)11-12-19(25)28-14-13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H2,22,23,24,29)