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

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C29H32ClN3O4S MolecularWeight: 554.10008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C29H32ClN3O4S/c1-3-4-5-8-19-36-24-17-11-21(12-18-24)28(35)33-29(38)32-23-15-13-22(14-16-23)31-27(34)20(2)37-26-10-7-6-9-25(26)30/h6-7,9-18,20H,3-5,8,19H2,1-2H3,(H,31,34)(H2,32,33,35,38)