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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCCC3=CC=CC=C32)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-2-3-13-26-19-11-10-16(14-17(19)22)20(25)23-21(27)24-12-6-8-15-7-4-5-9-18(15)24/h4-5,7,9-11,14H,2-3,6,8,12-13H2,1H3,(H,23,25,27)