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

Systemtic Name: N-[4-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C26H22BrN3O5S MolecularWeight: 568.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC)Br

InChI

InChI=1S/C26H22BrN3O5S/c1-3-34-21-11-8-16(12-18(21)27)24(31)30-26(36)28-17-9-10-19(22(14-17)33-2)29-25(32)23-13-15-6-4-5-7-20(15)35-23/h4-14H,3H2,1-2H3,(H,29,32)(H2,28,30,31,36)