N-[4-[(4-ethylphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-[(4-ethylphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-ethylbenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(4-ethylbenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(4-ethylbenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C26H23N3O3S/c1-3-17-8-10-18(11-9-17)24(30)29-26(33)27-20-12-13-21(16(2)14-20)28-25(31)23-15-19-6-4-5-7-22(19)32-23/h4-15H,3H2,1-2H3,(H,28,31)(H2,27,29,30,33)