3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C23H28BrN3O3S/c1-14(2)13-30-19-11-8-16(12-18(19)24)20(28)25-22(31)27-26-21(29)15-6-9-17(10-7-15)23(3,4)5/h6-12,14H,13H2,1-5H3,(H,26,29)(H2,25,27,28,31)