3-nitro-4-[2-oxidanylidene-2-[[phenyl(pyridin-2-yl)methyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[phenyl(pyridin-2-yl)methyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[phenyl(2-pyridyl)methyl]amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[phenyl(2-pyridinyl)methyl]amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[[phenyl(pyridin-2-yl)methyl]amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[[phenyl(2-pyridyl)methyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c22-21(27)15-9-10-18(17(12-15)25(28)29)30-13-19(26)24-20(14-6-2-1-3-7-14)16-8-4-5-11-23-16/h1-12,20H,13H2,(H2,22,27)(H,24,26)