N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C29H24N4O5S MolecularWeight: 540.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H24N4O5S/c1-29(2,3)19-9-7-17(8-10-19)27-31-22-16-20(11-12-24(22)38-27)30-28(39)32-26(34)25-14-13-23(37-25)18-5-4-6-21(15-18)33(35)36/h4-16H,1-3H3,(H2,30,32,34,39)