N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C25H32ClN3O4S/c1-4-5-6-7-8-13-32-20-11-9-19(10-12-20)24(31)27-25(34)29-28-22(30)16-33-21-14-17(2)23(26)18(3)15-21/h9-12,14-15H,4-8,13,16H2,1-3H3,(H,28,30)(H2,27,29,31,34)