N-[4-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[4-[(2-amino-2-oxo-ethyl)sulfanylmethyl]thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[4-[[(2-amino-2-oxoethyl)thio]methyl]-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[4-[(2-amino-2-oxoethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[4-[[(2-amino-2-keto-ethyl)thio]methyl]thiazol-2-yl]-4-nitro-benzamide Formula: C13H12N4O4S2 MolecularWeight: 352.38878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC(=CS2)CSCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC(=CS2)CSCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S2/c14-11(18)7-22-5-9-6-23-13(15-9)16-12(19)8-1-3-10(4-2-8)17(20)21/h1-4,6H,5,7H2,(H2,14,18)(H,15,16,19)