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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: 2-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C25H20Cl2IN3O2S MolecularWeight: 624.32067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20Cl2IN3O2S/c1-3-13(2)14-5-9-22-21(10-14)29-24(33-22)15-4-7-19(27)20(11-15)30-25(34)31-23(32)17-12-16(28)6-8-18(17)26/h4-13H,3H2,1-2H3,(H2,30,31,32,34)