methyl 3-[(3-morpholin-4-ylcarbonylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-morpholin-4-ylcarbonylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[3-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(morpholine-4-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-(morpholine-4-carbonyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H21N3O5S/c1-28-20(27)16-6-2-4-14(12-16)18(25)23-21(30)22-17-7-3-5-15(13-17)19(26)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H2,22,23,25,30)