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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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