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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)/N2

InChI

InChI=1S/C26H21N3O4S/c1-14(2)15-7-10-22-19(11-15)28-25(33-22)18-13-17(8-9-20(18)30)27-26(34)29-24(31)23-12-16-5-3-4-6-21(16)32-23/h3-14,28H,1-2H3,(H2,27,29,31,34)/b25-18+