N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]benzamide Formula: C28H30ClN3O4S MolecularWeight: 540.0735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C28H30ClN3O4S/c1-3-4-9-18-35-24-12-7-5-10-22(24)27(34)32-28(37)31-21-16-14-20(15-17-21)30-26(33)19(2)36-25-13-8-6-11-23(25)29/h5-8,10-17,19H,3-4,9,18H2,1-2H3,(H,30,33)(H2,31,32,34,37)