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

Systemtic Name: N-(2,3-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-(1-piperidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[(3-piperidinoquinoxalin-2-yl)thio]acetamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4)C

InChI

InChI=1S/C23H26N4OS/c1-16-9-8-12-18(17(16)2)24-21(28)15-29-23-22(27-13-6-3-7-14-27)25-19-10-4-5-11-20(19)26-23/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,24,28)