methyl 2-[[furan-2-ylmethyl(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[furan-2-ylmethyl(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-furylmethyl(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[2-furanylmethyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[furan-2-ylmethyl(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-furfuryl(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCCN2CCOCC2)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O4S/c1-26-20(25)18-7-2-3-8-19(18)22-21(29)24(16-17-6-4-13-28-17)10-5-9-23-11-14-27-15-12-23/h2-4,6-8,13H,5,9-12,14-16H2,1H3,(H,22,29)