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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(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=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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