2-bromanyl-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-nitro-benzamide Formula: C23H17BrN4O4S MolecularWeight: 525.37448

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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)C4=C(C=CC(=C4)[N+](=O)[O-])Br)C

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrN4O4S/c1-12-3-4-14(9-13(12)2)22-26-19-10-15(5-8-20(19)32-22)25-23(33)27-21(29)17-11-16(28(30)31)6-7-18(17)24/h3-11H,1-2H3,(H2,25,27,29,33)