3-bromanyl-4-tert-butyl-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(o-toluoylamino)thiocarbamoyl]benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-12-7-5-6-8-14(12)18(26)23-24-19(27)22-17(25)13-9-10-15(16(21)11-13)20(2,3)4/h5-11H,1-4H3,(H,23,26)(H2,22,24,25,27)