methyl 5-[(3-chlorophenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: methyl 5-[(3-chlorophenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(3-chlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(3-chlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-chlorobenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid methyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S/c1-27-19(26)16-12-15(5-6-17(16)24-7-9-28-10-8-24)22-20(29)23-18(25)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3,(H2,22,23,25,29)