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

Systemtic Name: methyl 3-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[2-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[2-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3

InChI

InChI=1S/C22H23N3O5S/c1-29-21(28)15-7-4-6-14(12-15)19(26)25-22(31)24-18-10-3-2-9-17(18)20(27)23-13-16-8-5-11-30-16/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,23,27)(H2,24,25,26,31)