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

Systemtic Name: phenethyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C28H28ClN3O5S MolecularWeight: 554.05702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C28H28ClN3O5S/c1-19(37-24-10-6-5-9-23(24)29)27(35)30-21-11-13-22(14-12-21)31-28(38)32-25(33)15-16-26(34)36-18-17-20-7-3-2-4-8-20/h2-14,19H,15-18H2,1H3,(H,30,35)(H2,31,32,33,38)