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

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S2/c1-11(2)5-4-6-12(3)18-16(21)10-24-17-19-14-8-7-13(20(22)23)9-15(14)25-17/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,21)/t12-/m0/s1