N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-[(1S)-2-morpholino-1-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: N-[(1S)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: 4-(methylthio)-N-[(1S)-2-morpholino-1-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](CN2CCOCC2)NC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-15-3-5-16(6-4-15)18(14-23-9-11-28-12-10-23)22-21(25)17-7-8-20(29-2)19(13-17)24(26)27/h3-8,13,18H,9-12,14H2,1-2H3,(H,22,25)/t18-/m1/s1