3-phenylpropyl 5-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C30H32ClN3O5S MolecularWeight: 582.11018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32ClN3O5S/c1-21(39-26-13-6-5-12-25(26)31)29(37)32-23-16-18-24(19-17-23)33-30(40)34-27(35)14-7-15-28(36)38-20-8-11-22-9-3-2-4-10-22/h2-6,9-10,12-13,16-19,21H,7-8,11,14-15,20H2,1H3,(H,32,37)(H2,33,34,35,40)