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

Systemtic Name: methyl 4-[(4-oxidanylidene-4-propoxy-butanoyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-oxo-4-propoxy-butanoyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1,4-dioxo-4-propoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-4-propoxybutanoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-keto-4-propoxy-butanoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-3-10-23-14(20)9-8-13(19)18-16(24)17-12-6-4-11(5-7-12)15(21)22-2/h4-7H,3,8-10H2,1-2H3,(H2,17,18,19,24)