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

Systemtic Name: 3-bromanyl-N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-4-isobutoxy-benzamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-14(2)13-26-19-10-9-16(12-17(19)22)20(25)23-21(27)24-11-5-7-15-6-3-4-8-18(15)24/h3-4,6,8-10,12,14H,5,7,11,13H2,1-2H3,(H,23,25,27)