2-methoxy-4-methylsulfanyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

Systemtic Name: 2-methoxy-4-methylsulfanyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide Openeye Name: 2-methoxy-4-methylsulfanyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide CAS Name: 2-methoxy-4-(methylthio)-N-[3-(1-pyrrolidinyl)-2-quinoxalinyl]benzamide IUPAC Name: 2-methoxy-4-methylsulfanyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide Traditional Name: 2-methoxy-4-(methylthio)-N-(3-pyrrolidinoquinoxalin-2-yl)benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-27-18-13-14(28-2)9-10-15(18)21(26)24-19-20(25-11-5-6-12-25)23-17-8-4-3-7-16(17)22-19/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,22,24,26)