methyl 4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3

InChI

InChI=1S/C21H22N2O5S/c1-26-20(25)15-9-7-14(8-10-15)19(24)23-21(29)22-16-4-2-5-17(12-16)28-13-18-6-3-11-27-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H2,22,23,24,29)