2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-N-(3-pyridylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(2,5-dimethylphenyl)methylthio]methyl]-3-oxo-N-(3-pyridinylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[[(2,5-dimethylbenzyl)thio]methyl]-3-keto-N-(3-pyridylmethyl)-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-16-5-6-17(2)20(10-16)14-32-15-23-25(31)29-22-11-19(7-8-21(22)28-23)24(30)27-13-18-4-3-9-26-12-18/h3-12,23,28H,13-15H2,1-2H3,(H,27,30)(H,29,31)