N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O4S/c1-13-4-5-17(23-25-20-10-14(2)15(3)11-21(20)32-23)12-19(13)26-24(33)27-22(29)16-6-8-18(9-7-16)28(30)31/h4-12H,1-3H3,(H2,26,27,29,33)