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

Systemtic Name: propyl 4-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-3-14-31-21(29)13-12-20(28)27-23(33)26-17-10-8-16(9-11-17)25-22(30)15(2)32-19-7-5-4-6-18(19)24/h4-11,15H,3,12-14H2,1-2H3,(H,25,30)(H2,26,27,28,33)