N-(3-methylbutyl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-isopentyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-N-isoamyl-acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-16(2)12-13-23-21(26)15-27-22-20(14-17-8-4-3-5-9-17)24-18-10-6-7-11-19(18)25-22/h3-11,16H,12-15H2,1-2H3,(H,23,26)