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

Systemtic Name: methyl 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C20H19BrClN3O4S MolecularWeight: 512.80456

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrClN3O4S/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(21)3-4-15(14)22/h2-5,10-11H,6-9H2,1H3,(H2,23,24,26,30)