7-(azepan-1-ylcarbonyl)-3-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 7-(azepane-1-carbonyl)-3-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-[[(2,5-dimethylphenyl)methylthio]methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 7-(azepane-1-carbonyl)-3-[(2,5-dimethylphenyl)methylsulfanylmethyl]-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 7-(azepane-1-carbonyl)-3-[[(2,5-dimethylbenzyl)thio]methyl]-3,4-dihydro-1H-quinoxalin-2-one Formula: C25H31N3O2S MolecularWeight: 437.59754

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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)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSCC2C(=O)NC3=C(N2)C=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O2S/c1-17-7-8-18(2)20(13-17)15-31-16-23-24(29)27-22-14-19(9-10-21(22)26-23)25(30)28-11-5-3-4-6-12-28/h7-10,13-14,23,26H,3-6,11-12,15-16H2,1-2H3,(H,27,29)