methyl 4-oxidanylidene-4-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[4-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCOC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCOC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5S/c1-25-19(24)12-11-18(23)22-20(28)21-15-7-9-17(10-8-15)27-14-13-26-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H2,21,22,23,28)