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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[[(3-chlorophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[[(3-chlorobenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[[[(3-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[[(3-chlorobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[[(3-chlorobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19BrClN3O2S MolecularWeight: 468.79506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClN3O2S/c1-19(2,3)14-8-7-12(10-15(14)20)16(25)22-18(27)24-23-17(26)11-5-4-6-13(21)9-11/h4-10H,1-3H3,(H,23,26)(H2,22,24,25,27)