N-(3-chloranyl-4-methyl-phenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-14-8-9-15(12-16(14)22)23-19(27)13-28-21-20(26-10-4-5-11-26)24-17-6-2-3-7-18(17)25-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,27)