N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]coumarilamide Formula: C26H21N3O4S MolecularWeight: 471.52764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)N2

InChI

InChI=1S/C26H21N3O4S/c1-3-15-8-9-21-19(11-15)28-25(33-21)18-13-17(10-14(2)23(18)30)27-26(34)29-24(31)22-12-16-6-4-5-7-20(16)32-22/h4-13,28H,3H2,1-2H3,(H2,27,29,31,34)