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

Systemtic Name: N-[4-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-[(2-amino-2-oxo-ethyl)sulfanylmethyl]thiazol-2-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-[[(2-amino-2-oxoethyl)thio]methyl]-2-thiazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-[(2-amino-2-oxoethyl)sulfanylmethyl]-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-[[(2-amino-2-keto-ethyl)thio]methyl]thiazol-2-yl]-2-methyl-3-nitro-benzamide Formula: C14H14N4O4S2 MolecularWeight: 366.41536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)CSCC(=O)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)CSCC(=O)N

InChI

InChI=1S/C14H14N4O4S2/c1-8-10(3-2-4-11(8)18(21)22)13(20)17-14-16-9(6-24-14)5-23-7-12(15)19/h2-4,6H,5,7H2,1H3,(H2,15,19)(H,16,17,20)