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

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C31H28ClN3O4S MolecularWeight: 574.08972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)OC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)OC4=CC=CC=C4Cl

InChI

InChI=1S/C31H28ClN3O4S/c1-21(39-28-10-6-5-9-27(28)32)29(36)33-24-13-15-25(16-14-24)34-31(40)35-30(37)23-11-17-26(18-12-23)38-20-19-22-7-3-2-4-8-22/h2-18,21H,19-20H2,1H3,(H,33,36)(H2,34,35,37,40)