2-bromanyl-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-bis(iodanyl)benzamide

Systemtic Name: 2-bromanyl-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-bis(iodanyl)benzamide Openeye Name: 2-bromo-3,5-diiodo-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,5-diiodobenzamide IUPAC Name: 2-bromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-diiodobenzamide Traditional Name: 2-bromo-3,5-diiodo-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H20BrI2N3O2S MolecularWeight: 760.22314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I

InChI

InChI=1S/C25H20BrI2N3O2S/c1-3-13(2)15-6-9-21-20(10-15)30-24(33-21)14-4-7-17(8-5-14)29-25(34)31-23(32)18-11-16(27)12-19(28)22(18)26/h4-13H,3H2,1-2H3,(H2,29,31,32,34)