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

Systemtic Name: 2-(methylamino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-nitro-benzamide Openeye Name: 2-(methylamino)-5-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 2-(methylamino)-N-[2-[(4-methylphenyl)methylthio]ethyl]-5-nitrobenzamide IUPAC Name: 2-(methylamino)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-nitrobenzamide Traditional Name: 2-(methylamino)-N-[2-[(4-methylbenzyl)thio]ethyl]-5-nitro-benzamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-13-3-5-14(6-4-13)12-25-10-9-20-18(22)16-11-15(21(23)24)7-8-17(16)19-2/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,22)