methyl 3-(phenylcarbonylcarbamothioylamino)-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-(phenylcarbonylcarbamothioylamino)-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-(benzoylcarbamothioylamino)-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzoylcarbamothioylamino)-4-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C22H18F3N3O3S MolecularWeight: 461.45683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CC(=CC=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CC(=CC=C2)C(F)(F)F)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18F3N3O3S/c1-31-20(30)18-17(27-21(32)28-19(29)14-7-3-2-4-8-14)15(12-26-18)10-13-6-5-9-16(11-13)22(23,24)25/h2-9,11-12,26H,10H2,1H3,(H2,27,28,29,32)