N-[(3-aminocarbonylphenyl)methyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-[(3-aminocarbonylphenyl)methyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-[(3-carbamoylphenyl)methyl]-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-[(3-carbamoylphenyl)methyl]-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-[(3-carbamoylphenyl)methyl]-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-(3-carbamoylbenzyl)-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=CC(=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=CC(=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5S/c1-32-20-10-9-15(12-19(20)26(30)31)21(27)17-7-2-3-8-18(17)23(29)25-13-14-5-4-6-16(11-14)22(24)28/h2-12H,13H2,1H3,(H2,24,28)(H,25,29)