N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-4-nitrobenzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-4-nitro-benzamide Formula: C13H12N4O4S2 MolecularWeight: 352.38878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SCC(=O)N

InChI

InChI=1S/C13H12N4O4S2/c1-7-12(22-6-10(14)18)23-13(15-7)16-11(19)8-2-4-9(5-3-8)17(20)21/h2-5H,6H2,1H3,(H2,14,18)(H,15,16,19)