3-nitro-N-[4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-nitro-N-[4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[4-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide CAS Name: 3-nitro-N-[4-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]benzamide Traditional Name: N-[4-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]phenyl]-3-nitro-benzamide Formula: C18H14N4O4S2 MolecularWeight: 414.45816

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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=NC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=NC=CS3

InChI

InChI=1S/C18H14N4O4S2/c23-16(21-18-19-8-9-27-18)11-28-15-6-4-13(5-7-15)20-17(24)12-2-1-3-14(10-12)22(25)26/h1-10H,11H2,(H,20,24)(H,19,21,23)