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

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-sec-butylphenyl)acetamide CAS Name: N-(2-butan-2-ylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(2-sec-butylphenyl)acetamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S2/c1-3-12(2)14-6-4-5-7-15(14)20-18(23)11-26-19-21-16-9-8-13(22(24)25)10-17(16)27-19/h4-10,12H,3,11H2,1-2H3,(H,20,23)