N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C29H24N4O5S MolecularWeight: 540.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

InChI

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