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

Systemtic Name: 3-phenylpropyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C29H30ClN3O5S MolecularWeight: 568.0836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C29H30ClN3O5S/c1-20(38-25-12-6-5-11-24(25)30)28(36)31-22-13-15-23(16-14-22)32-29(39)33-26(34)17-18-27(35)37-19-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-16,20H,7,10,17-19H2,1H3,(H,31,36)(H2,32,33,34,39)