3-bromanyl-4-tert-butyl-N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)benzamide Openeye Name: 3-bromo-4-tert-butyl-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide CAS Name: 3-bromo-4-tert-butyl-N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-tert-butyl-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)benzamide Formula: C21H23BrN2OS MolecularWeight: 431.38912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)Br

InChI

InChI=1S/C21H23BrN2OS/c1-21(2,3)16-11-10-15(13-17(16)22)19(25)23-20(26)24-12-6-8-14-7-4-5-9-18(14)24/h4-5,7,9-11,13H,6,8,12H2,1-3H3,(H,23,25,26)