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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

InChI

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