butyl 4-[2-(3-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[2-(3-chloranylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[2-(3-chlorophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(3-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-chlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(3-chlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c1-2-3-11-26-19(25)14-7-9-16(10-8-14)22-20(28)23-18(24)13-27-17-6-4-5-15(21)12-17/h4-10,12H,2-3,11,13H2,1H3,(H2,22,23,24,28)