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

Systemtic Name: 3-bromanyl-N-[[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C27H27BrN4O3S MolecularWeight: 567.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C27H27BrN4O3S/c1-16-5-6-19(15-22(16)28)24(34)30-26(36)32-31-25(35)18-9-13-21(14-10-18)29-23(33)17-7-11-20(12-8-17)27(2,3)4/h5-15H,1-4H3,(H,29,33)(H,31,35)(H2,30,32,34,36)