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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(2-cyanophenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(2-cyanophenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(2-cyanoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(2-cyanophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-[(2-cyanophenyl)thiocarbamoyl]benzamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C#N)Br

InChI

InChI=1S/C19H18BrN3OS/c1-19(2,3)14-9-8-12(10-15(14)20)17(24)23-18(25)22-16-7-5-4-6-13(16)11-21/h4-10H,1-3H3,(H2,22,23,24,25)