methyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C21H22BrN3O5S MolecularWeight: 508.38548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)Br

InChI

InChI=1S/C21H22BrN3O5S/c1-28-18-6-4-13(11-15(18)22)19(26)24-21(31)23-16-12-14(20(27)29-2)3-5-17(16)25-7-9-30-10-8-25/h3-6,11-12H,7-10H2,1-2H3,(H2,23,24,26,31)