methyl 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCOCC4)Br

InChI

InChI=1S/C25H24BrN3O5S/c1-32-22-18(13-15-5-3-4-6-17(15)21(22)26)23(30)28-25(35)27-19-14-16(24(31)33-2)7-8-20(19)29-9-11-34-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H2,27,28,30,35)