ethyl 4-oxidanylidene-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]butyric acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-2-26-20(25)12-11-19(24)23-21(29)22-16-7-6-10-18(15-16)28-14-13-27-17-8-4-3-5-9-17/h3-10,15H,2,11-14H2,1H3,(H2,22,23,24,29)