N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-chloro-5-iodo-benzamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-chloro-5-iodobenzamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-chloro-5-iodo-benzamide Formula: C25H23ClIN3O2S MolecularWeight: 591.89149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)I)Cl

InChI

InChI=1S/C25H23ClIN3O2S/c1-25(2,3)16-6-4-15(5-7-16)22(31)28-18-9-11-19(12-10-18)29-24(33)30-23(32)20-14-17(27)8-13-21(20)26/h4-14H,1-3H3,(H,28,31)(H2,29,30,32,33)