N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[2-(4-butylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[2-(4-butylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-iodo-benzamide Formula: C24H22IN5OS MolecularWeight: 555.43385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C24H22IN5OS/c1-2-3-6-16-9-12-18(13-10-16)30-28-21-14-11-17(15-22(21)29-30)26-24(32)27-23(31)19-7-4-5-8-20(19)25/h4-5,7-15H,2-3,6H2,1H3,(H2,26,27,31,32)