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

Systemtic Name: N-(3-ethylphenyl)-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-(3-ethylphenyl)-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-(3-ethylphenyl)-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-(3-ethylphenyl)-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(3-ethylphenyl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O4S/c1-3-15-7-6-8-17(13-15)24-23(27)19-10-5-4-9-18(19)22(26)16-11-12-21(30-2)20(14-16)25(28)29/h4-14H,3H2,1-2H3,(H,24,27)