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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

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