phenethyl 4-oxidanylidene-4-[(3-propoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: phenethyl 4-oxidanylidene-4-[(3-propoxyphenyl)carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(3-propoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(3-propoxyanilino)-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(3-propoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propoxyphenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-2-14-27-19-10-6-9-18(16-19)23-22(29)24-20(25)11-12-21(26)28-15-13-17-7-4-3-5-8-17/h3-10,16H,2,11-15H2,1H3,(H2,23,24,25,29)