3-phenylpropyl 4-[[3-(2-methoxyethoxy)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

COCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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