N-(4-ethoxyphenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(4-ethoxyphenyl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]-N-p-phenetyl-benzamide Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c1-3-30-17-11-9-16(10-12-17)24-23(27)19-7-5-4-6-18(19)22(26)15-8-13-21(31-2)20(14-15)25(28)29/h4-14H,3H2,1-2H3,(H,24,27)