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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,5-bis(iodanyl)benzamide Openeye Name: 2,5-diiodo-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,5-diiodobenzamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,5-diiodobenzamide Traditional Name: 2,5-diiodo-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H21I2N3O2S MolecularWeight: 681.32708

Click to see the large picture

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=C(C=CC(=C4)I)I

Isomeric SMILES

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

InChI

InChI=1S/C25H21I2N3O2S/c1-3-14(2)16-6-11-22-21(12-16)29-24(32-22)15-4-8-18(9-5-15)28-25(33)30-23(31)19-13-17(26)7-10-20(19)27/h4-14H,3H2,1-2H3,(H2,28,30,31,33)