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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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