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

Systemtic Name: N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C26H18N4O6S MolecularWeight: 514.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-])N2

InChI

InChI=1S/C26H18N4O6S/c1-14-5-8-22-19(11-14)28-25(36-22)18-13-16(6-7-20(18)31)27-26(37)29-24(32)23-10-9-21(35-23)15-3-2-4-17(12-15)30(33)34/h2-13,28H,1H3,(H2,27,29,32,37)