methyl 3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C24H22BrN3O4S/c1-31-23(30)15-8-9-21(28-10-12-32-13-11-28)20(14-15)26-24(33)27-22(29)18-6-2-5-17-16(18)4-3-7-19(17)25/h2-9,14H,10-13H2,1H3,(H2,26,27,29,33)