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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-26-20(25)15-5-2-4-14(12-15)19(24)23-21(29)22-16-7-9-17(10-8-16)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)