2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(1,1,3,3-tetramethylbutyl)acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(2,4,4-trimethylpentan-2-yl)acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,4-trimethylpentan-2-yl)acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(1,1,3,3-tetramethylbutyl)acetamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S2/c1-16(2,3)10-17(4,5)19-14(21)9-24-15-18-12-7-6-11(20(22)23)8-13(12)25-15/h6-8H,9-10H2,1-5H3,(H,19,21)