N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C25H21ClIN3O2S MolecularWeight: 589.87561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl

InChI

InChI=1S/C25H21ClIN3O2S/c1-25(2,3)15-6-4-14(5-7-15)23-29-20-13-17(9-11-21(20)32-23)28-24(33)30-22(31)18-12-16(27)8-10-19(18)26/h4-13H,1-3H3,(H2,28,30,31,33)