2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-yl-ethanamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-yl-ethanamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(8-quinolyl)acetamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(8-quinolinyl)acetamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-quinolin-8-ylacetamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(8-quinolyl)acetamide Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)CSCC3=CC(=CC=C3)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)CSCC3=CC(=CC=C3)Br)N=CC=C2

InChI

InChI=1S/C18H15BrN2OS/c19-15-7-1-4-13(10-15)11-23-12-17(22)21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10H,11-12H2,(H,21,22)