N-(4-butylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(1-piperidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[(3-piperidinoquinoxalin-2-yl)thio]acetamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4

InChI

InChI=1S/C25H30N4OS/c1-2-3-9-19-12-14-20(15-13-19)26-23(30)18-31-25-24(29-16-7-4-8-17-29)27-21-10-5-6-11-22(21)28-25/h5-6,10-15H,2-4,7-9,16-18H2,1H3,(H,26,30)