2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(5-tert-butyl-2-methyl-phenyl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(5-tert-butyl-2-methylphenyl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(5-tert-butyl-2-methyl-phenyl)thio]-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)SCC(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S2/c1-12-5-6-13(20(2,3)4)9-17(12)27-11-18(24)22-19-21-15-10-14(23(25)26)7-8-16(15)28-19/h5-10H,11H2,1-4H3,(H,21,22,24)