N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-(2-nitrophenoxy)acetamide Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)COC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C24H20N4O5S/c1-14-7-8-16(11-15(14)2)23-26-18-12-17(9-10-20(18)33-23)25-24(34)27-22(29)13-32-21-6-4-3-5-19(21)28(30)31/h3-12H,13H2,1-2H3,(H2,25,27,29,34)