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

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[4-(3-phenylpropoxy)phenyl]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[4-(3-phenylpropoxy)phenyl]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCCC2=CC=CC=C2

Isomeric SMILES

COCCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)OCCCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-28-16-17-30-22(27)14-13-21(26)25-23(31)24-19-9-11-20(12-10-19)29-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H2,24,25,26,31)