butyl 4-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[2-(4-methylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 4-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-3-4-13-26-20(25)16-7-9-17(10-8-16)22-21(28)23-19(24)14-27-18-11-5-15(2)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H2,22,23,24,28)