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

Systemtic Name: methyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5S/c1-13(30-17-6-4-3-5-16(17)22)20(28)23-14-7-9-15(10-8-14)24-21(31)25-18(26)11-12-19(27)29-2/h3-10,13H,11-12H2,1-2H3,(H,23,28)(H2,24,25,26,31)