5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-chloranyl-benzamide

Systemtic Name: 5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C25H23BrClN3O2S MolecularWeight: 544.89102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrClN3O2S/c1-25(2,3)16-9-7-15(8-10-16)22(31)28-18-5-4-6-19(14-18)29-24(33)30-23(32)20-13-17(26)11-12-21(20)27/h4-14H,1-3H3,(H,28,31)(H2,29,30,32,33)