methyl 4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(3-phenethyloxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(3-phenethyloxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-phenethyloxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-25-19(24)11-10-18(23)22-20(27)21-16-8-5-9-17(14-16)26-13-12-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H2,21,22,23,27)