N-(2-cyanopropan-2-yl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2-cyanopropan-2-yl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1-cyano-1-methyl-ethyl)-N-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3S2/c1-14(2,8-15)17(3)12(19)7-22-13-16-10-5-4-9(18(20)21)6-11(10)23-13/h4-6H,7H2,1-3H3