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

Systemtic Name: ethyl 4-[(4-oxidanylidene-4-propoxy-butanoyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-oxo-4-propoxy-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1,4-dioxo-4-propoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-4-propoxybutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-propoxy-butanoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H22N2O5S/c1-3-11-24-15(21)10-9-14(20)19-17(25)18-13-7-5-12(6-8-13)16(22)23-4-2/h5-8H,3-4,9-11H2,1-2H3,(H2,18,19,20,25)