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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=NC=C3

InChI

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