3-nitro-N-[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-nitro-N-[4-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[4-[2-oxo-2-(2-pyridylamino)ethyl]sulfanylphenyl]benzamide CAS Name: 3-nitro-N-[4-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-2-(2-pyridylamino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c25-19(23-18-6-1-2-11-21-18)13-29-17-9-7-15(8-10-17)22-20(26)14-4-3-5-16(12-14)24(27)28/h1-12H,13H2,(H,22,26)(H,21,23,25)