N-methyl-4-methylsulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: N-methyl-4-methylsulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitro-benzamide Openeye Name: N-methyl-4-methylsulfanyl-N-[(4-morpholinophenyl)methyl]-3-nitro-benzamide CAS Name: N-methyl-4-(methylthio)-N-[[4-(4-morpholinyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: N-methyl-4-methylsulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-nitrobenzamide Traditional Name: N-methyl-4-(methylthio)-N-(4-morpholinobenzyl)-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCOCC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-21(20(24)16-5-8-19(28-2)18(13-16)23(25)26)14-15-3-6-17(7-4-15)22-9-11-27-12-10-22/h3-8,13H,9-12,14H2,1-2H3