N-[4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C25H20BrN3O4S MolecularWeight: 538.413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrN3O4S/c1-14-11-17(27-25(34)29-23(30)16-7-10-21(32-2)18(26)12-16)8-9-19(14)28-24(31)22-13-15-5-3-4-6-20(15)33-22/h3-13H,1-2H3,(H,28,31)(H2,27,29,30,34)