N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C28H22N4O5S MolecularWeight: 526.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-])C

InChI

InChI=1S/C28H22N4O5S/c1-15-13-21-25(14-16(15)2)37-27(29-21)18-8-6-9-20(17(18)3)30-28(38)31-26(33)24-12-11-23(36-24)19-7-4-5-10-22(19)32(34)35/h4-14H,1-3H3,(H2,30,31,33,38)