methyl 3-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C20H19ClIN3O4S MolecularWeight: 559.80503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C20H19ClIN3O4S/c1-28-19(27)12-2-5-17(25-6-8-29-9-7-25)16(10-12)23-20(30)24-18(26)14-11-13(22)3-4-15(14)21/h2-5,10-11H,6-9H2,1H3,(H2,23,24,26,30)