2-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-bis(iodanyl)benzamide

Systemtic Name: 2-bromanyl-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-bis(iodanyl)benzamide Openeye Name: 2-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3,5-diiodo-benzamide CAS Name: 2-bromo-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3,5-diiodobenzamide IUPAC Name: 2-bromo-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3,5-diiodobenzamide Traditional Name: 2-bromo-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3,5-diiodo-benzamide Formula: C25H22BrI2N5OS MolecularWeight: 774.25302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC(=CC(=C4Br)I)I)C

InChI

InChI=1S/C25H22BrI2N5OS/c1-3-4-5-15-6-8-17(9-7-15)33-31-21-10-14(2)20(13-22(21)32-33)29-25(35)30-24(34)18-11-16(27)12-19(28)23(18)26/h6-13H,3-5H2,1-2H3,(H2,29,30,34,35)