N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-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=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC(=CC(=C3O2)C)C)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

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