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

Systemtic Name: 5-bromanyl-N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-phenethyloxy-benzamide Formula: C25H23BrN2O2S MolecularWeight: 495.43132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O2S/c26-20-12-13-23(30-16-14-18-7-2-1-3-8-18)21(17-20)24(29)27-25(31)28-15-6-10-19-9-4-5-11-22(19)28/h1-5,7-9,11-13,17H,6,10,14-16H2,(H,27,29,31)