N-(3-bromophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-bromophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-bromophenyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(3-bromophenyl)-2-[[3-(1-piperidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(3-bromophenyl)-2-[(3-piperidinoquinoxalin-2-yl)thio]acetamide Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN4OS/c22-15-7-6-8-16(13-15)23-19(27)14-28-21-20(26-11-4-1-5-12-26)24-17-9-2-3-10-18(17)25-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,23,27)