N-[4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C28H20BrN3O3S MolecularWeight: 558.4457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H20BrN3O3S/c1-16-14-18(12-13-23(16)31-27(34)25-15-17-6-2-3-11-24(17)35-25)30-28(36)32-26(33)21-9-4-8-20-19(21)7-5-10-22(20)29/h2-15H,1H3,(H,31,34)(H2,30,32,33,36)