phenethyl 4-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-(2-methoxyethoxy)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(2-methoxyethoxy)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-27-14-15-28-19-9-5-8-18(16-19)23-22(30)24-20(25)10-11-21(26)29-13-12-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H2,23,24,25,30)