N-(3-chloranyl-4-methoxy-phenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(1-piperidyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[3-(1-piperidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(3-piperidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(3-piperidinoquinoxalin-2-yl)thio]acetamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCCC4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-29-19-10-9-15(13-16(19)23)24-20(28)14-30-22-21(27-11-5-2-6-12-27)25-17-7-3-4-8-18(17)26-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,24,28)