N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-(4-methoxyphenyl)-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-27-16-10-8-15(9-11-16)22-19(26)14-28-21-20(25-12-4-5-13-25)23-17-6-2-3-7-18(17)24-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,26)