N-[4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C24H17BrClN3O3S MolecularWeight: 542.83208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H17BrClN3O3S/c1-13-10-16(27-24(33)29-22(30)17-12-15(25)6-8-18(17)26)7-9-19(13)28-23(31)21-11-14-4-2-3-5-20(14)32-21/h2-12H,1H3,(H,28,31)(H2,27,29,30,33)