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

Systemtic Name: 5-(3-nitrophenyl)-N-[[3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[[[3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[[3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C28H22N4O6S MolecularWeight: 542.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])N2

InChI

InChI=1S/C28H22N4O6S/c1-15(2)16-6-9-24-21(13-16)30-27(38-24)20-8-7-18(14-22(20)33)29-28(39)31-26(34)25-11-10-23(37-25)17-4-3-5-19(12-17)32(35)36/h3-15,30H,1-2H3,(H2,29,31,34,39)