5-methylsulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-nitro-benzamide

Systemtic Name: 5-methylsulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-nitro-benzamide Openeye Name: 5-methylsulfanyl-N-[[2-(morpholinomethyl)phenyl]methyl]-2-nitro-benzamide CAS Name: 5-(methylthio)-N-[[2-(4-morpholinylmethyl)phenyl]methyl]-2-nitrobenzamide IUPAC Name: 5-methylsulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-nitrobenzamide Traditional Name: 5-(methylthio)-N-[2-(morpholinomethyl)benzyl]-2-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2CN3CCOCC3

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC=CC=C2CN3CCOCC3

InChI

InChI=1S/C20H23N3O4S/c1-28-17-6-7-19(23(25)26)18(12-17)20(24)21-13-15-4-2-3-5-16(15)14-22-8-10-27-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)