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

Systemtic Name: N-[(2R)-heptan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-methylhexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(2R)-heptan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(2R)-heptan-2-yl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-methylhexyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S2/c1-3-4-5-6-11(2)17-15(20)10-23-16-18-13-8-7-12(19(21)22)9-14(13)24-16/h7-9,11H,3-6,10H2,1-2H3,(H,17,20)/t11-/m1/s1