phenethyl 4-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-(2-chloranylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-chlorophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=CC=CC=C2Cl

InChI

InChI=1S/C21H22ClN3O5S/c22-16-8-4-5-9-17(16)30-14-19(27)24-25-21(31)23-18(26)10-11-20(28)29-13-12-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,24,27)(H2,23,25,26,31)