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

Systemtic Name: methyl 4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3

InChI

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