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

Systemtic Name: methyl 3-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid methyl ester Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)N3CCOCC3)OC

InChI

InChI=1S/C22H24BrN3O5S/c1-13-10-15(23)12-16(19(13)29-2)20(27)25-22(32)24-17-11-14(21(28)30-3)4-5-18(17)26-6-8-31-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H2,24,25,27,32)