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

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(4-ethanoylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-acetylphenyl)carbamothioyl]-3-bromo-4-tert-butyl-benzamide CAS Name: N-[(4-acetylanilino)-sulfanylidenemethyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: N-[(4-acetylphenyl)carbamothioyl]-3-bromo-4-tert-butylbenzamide Traditional Name: N-[(4-acetylphenyl)thiocarbamoyl]-3-bromo-4-tert-butyl-benzamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O2S/c1-12(24)13-5-8-15(9-6-13)22-19(26)23-18(25)14-7-10-16(17(21)11-14)20(2,3)4/h5-11H,1-4H3,(H2,22,23,25,26)