N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]coumarilamide Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H21N3O3S/c1-3-16-9-11-22-20(12-16)27-25(32-22)18-10-8-15(2)19(13-18)28-26(33)29-24(30)23-14-17-6-4-5-7-21(17)31-23/h4-14H,3H2,1-2H3,(H2,28,29,30,33)