N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]coumarilamide Formula: C25H19N3O3S MolecularWeight: 441.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H19N3O3S/c1-14-11-19-21(12-15(14)2)31-24(27-19)16-7-9-18(10-8-16)26-25(32)28-23(29)22-13-17-5-3-4-6-20(17)30-22/h3-13H,1-2H3,(H2,26,28,29,32)