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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxidanylidene-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(2,5-dimethylphenyl)methylthio]methyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[[(2,5-dimethylbenzyl)thio]methyl]-3-keto-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-18-8-9-19(2)22(14-18)16-33-17-25-27(32)30-24-15-21(10-11-23(24)29-25)26(31)28-13-12-20-6-4-3-5-7-20/h3-11,14-15,25,29H,12-13,16-17H2,1-2H3,(H,28,31)(H,30,32)