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

Systemtic Name: propyl 4-[(4-oxidanylidene-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate Openeye Name: propyl 4-[(4-oxo-4-phenethyloxy-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1,4-dioxo-4-phenethyloxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-oxo-4-phenethyloxybutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-phenethyloxy-butanoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-2-15-30-22(28)18-8-10-19(11-9-18)24-23(31)25-20(26)12-13-21(27)29-16-14-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H2,24,25,26,31)