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

Systemtic Name: 5-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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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)OC

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)OC

InChI

InChI=1S/C26H26BrN3O3S/c1-26(2,3)17-10-8-16(9-11-17)23(31)28-19-6-5-7-20(15-19)29-25(34)30-24(32)21-14-18(27)12-13-22(21)33-4/h5-15H,1-4H3,(H,28,31)(H2,29,30,32,34)