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

Systemtic Name: methyl 5-[(2-chlorophenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: methyl 5-[(2-chlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 5-[(2-chlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(2-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=C2Cl)N3CCOCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Cl)N3CCOCC3

InChI

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