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

Systemtic Name: 3,5-bis(bromanyl)-N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C26H25Br2N3O3S MolecularWeight: 619.368

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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(=CC(=C3OC)Br)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C26H25Br2N3O3S/c1-26(2,3)16-10-8-15(9-11-16)23(32)29-18-6-5-7-19(14-18)30-25(35)31-24(33)20-12-17(27)13-21(28)22(20)34-4/h5-14H,1-4H3,(H,29,32)(H2,30,31,33,35)