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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[3-(3-phenylpropoxy)phenyl]thiocarbamoylamino]butyric acid phenethyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=CC=CC(=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O4S/c31-26(16-17-27(32)34-20-18-23-11-5-2-6-12-23)30-28(35)29-24-14-7-15-25(21-24)33-19-8-13-22-9-3-1-4-10-22/h1-7,9-12,14-15,21H,8,13,16-20H2,(H2,29,30,31,35)