ethyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C(C)OC2=CC=CC=C2Cl

InChI

InChI=1S/C22H24ClN3O5S/c1-3-30-20(28)13-12-19(27)26-22(32)25-16-10-8-15(9-11-16)24-21(29)14(2)31-18-7-5-4-6-17(18)23/h4-11,14H,3,12-13H2,1-2H3,(H,24,29)(H2,25,26,27,32)