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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3S2/c1-3-4-9(2)15-13(18)8-21-14-16-11-6-5-10(17(19)20)7-12(11)22-14/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)/t9-/m0/s1