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

Systemtic Name: 3-bromanyl-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-4-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=CC(=C(C=C3)OC)Br

Isomeric SMILES

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

InChI

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