4,5-dimethoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 4,5-dimethoxy-N-[2-[(4-methylphenyl)methylthio]ethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-[(4-methylbenzyl)thio]ethyl]-2-nitro-benzamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C19H22N2O5S/c1-13-4-6-14(7-5-13)12-27-9-8-20-19(22)15-10-17(25-2)18(26-3)11-16(15)21(23)24/h4-7,10-11H,8-9,12H2,1-3H3,(H,20,22)