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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-(2-phenoxyethoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(2-phenoxyethoxy)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5S/c30-25(14-15-26(31)34-17-16-21-8-3-1-4-9-21)29-27(35)28-22-10-7-13-24(20-22)33-19-18-32-23-11-5-2-6-12-23/h1-13,20H,14-19H2,(H2,28,29,30,35)