N-[2-[(2S)-butan-2-yl]phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-[(1S)-1-methylpropyl]phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-[(1S)-1-methylpropyl]phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-4-12(2)14-7-5-6-8-15(14)19-18(21)13-9-10-17(24-3)16(11-13)20(22)23/h5-12H,4H2,1-3H3,(H,19,21)/t12-/m0/s1