2-[(4-chlorophenyl)methylsulfanylmethyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-3-oxo-N-(3-pyridylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(4-chlorophenyl)methylthio]methyl]-3-oxo-N-(3-pyridinylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanylmethyl]-3-oxo-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[[(4-chlorobenzyl)thio]methyl]-3-keto-N-(3-pyridylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O2S/c24-18-6-3-15(4-7-18)13-31-14-21-23(30)28-20-10-17(5-8-19(20)27-21)22(29)26-12-16-2-1-9-25-11-16/h1-11,21,27H,12-14H2,(H,26,29)(H,28,30)